1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine

C116H245N15O17S2 — CID 161383244

IUPAC1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
SMILESCC(C)OCCCC1CCCCC1.CC(C)OCCCN1CCN(C(=O)C(C)C)CC1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC(C)OCCCN1CCNCC1.CC(C)OCCCN1CCOCC1.CC(C)OCCCS(=O)(=O)N1CCN(C)CC1.CC(C)OCCCS(=O)(=O)N1CCOCC1.CCN1CCC(CCCOC(C)C)CC1.CCN1CCN(CCCOC(C)C)CC1
InChIInChI=1S/C14H28N2O2.C13H28N2O.C13H27NO.C12H26N2O.C12H24O.C11H24N2O3S.C11H24N2O.C10H22N2O.C10H21NO4S.C10H21NO2/c1-12(2)14(17)16-9-7-15(8-10-16)6-5-11-18-13(3)4;1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;1-4-14-9-7-13(8-10-14)6-5-11-15-12(2)3;1-4-13-7-9-14(10-8-13)6-5-11-15-12(2)3;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-11(2)16-9-4-10-17(14,15)13-7-5-12(3)6-8-13;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-10(2)13-9-3-6-12-7-4-11-5-8-12;1-10(2)15-6-3-9-16(12,13)11-4-7-14-8-5-11;1-10(2)13-7-3-4-11-5-8-12-9-6-11/h12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,4-11H2,1-3H3;12H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3;11H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3
InChIKeyVRZONDKMLRDNJA-UHFFFAOYSA-N
MW2186.46 g/mol
LogP15.30
Rot. Bonds56

About 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine

1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine (PubChem CID 161383244) has the molecular formula C116H245N15O17S2 and a molecular weight of 2186.46 g/mol. Its IUPAC name is 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
PubChem CID161383244
Molecular FormulaC116H245N15O17S2
Molecular Weight2186.46 g/mol
Exact Mass2184.82
IUPAC Name1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
SMILESCC(C)OCCCC1CCCCC1.CC(C)OCCCN1CCN(C(=O)C(C)C)CC1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC(C)OCCCN1CCNCC1.CC(C)OCCCN1CCOCC1.CC(C)OCCCS(=O)(=O)N1CCN(C)CC1.CC(C)OCCCS(=O)(=O)N1CCOCC1.CCN1CCC(CCCOC(C)C)CC1.CCN1CCN(CCCOC(C)C)CC1
InChIInChI=1S/C14H28N2O2.C13H28N2O.C13H27NO.C12H26N2O.C12H24O.C11H24N2O3S.C11H24N2O.C10H22N2O.C10H21NO4S.C10H21NO2/c1-12(2)14(17)16-9-7-15(8-10-16)6-5-11-18-13(3)4;1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;1-4-14-9-7-13(8-10-14)6-5-11-15-12(2)3;1-4-13-7-9-14(10-8-13)6-5-11-15-12(2)3;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-11(2)16-9-4-10-17(14,15)13-7-5-12(3)6-8-13;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-10(2)13-9-3-6-12-7-4-11-5-8-12;1-10(2)15-6-3-9-16(12,13)11-4-7-14-8-5-11;1-10(2)13-7-3-4-11-5-8-12-9-6-11/h12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,4-11H2,1-3H3;12H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3;11H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3
InChIKeyVRZONDKMLRDNJA-UHFFFAOYSA-N
XLogP15.30
TPSA253.50 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds56
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002186.46
LogP ≤ 515.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butyl-1-methylpiperidin-4-amine;1-(3,3-dimethylbutyl)-4-methylpiperazine;1-(3,3-dimethylbutyl)-4-methylsulfonylpiperazine;bis(1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine);1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine;4-[2-[(2-methylpropan-2-yl)oxy]ethyl]morpholine;1-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethanone;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine;(2-methylpropan-2-yl)oxymethylcyclohexane;4-[(2-methylpropan-2-yl)oxymethyl]-1-methylsulfonylpiperidine;1-[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]ethanone
CID 157256577
N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(3-methoxypropyl)-2-methylpropanamide;N-(3-methoxypropyl)propane-2-sulfonamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(4-methyl-1-propan-2-ylpiperidine);1-methyl-4-propan-2-ylsulfonylpiperazine;4-propan-2-yloxyoxane;1-propan-2-ylsulfonylpyrrolidine
CID 161741953
N,N-dimethyl-1-propan-2-ylpiperidine-4-sulfonamide;N-(3-methoxypropyl)-2-methylpropanamide;N-(3-methoxypropyl)propane-2-sulfonamide;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(4-methyl-1-propan-2-ylpiperidine);bis(1-methyl-4-propan-2-ylsulfonylpiperazine);4-propan-2-yloxyoxane;1-propan-2-ylsulfonylpyrrolidine
CID 161825318

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The IUPAC name of 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine (CID 161383244) is 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine.
What is the SMILES notation for 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The canonical SMILES for 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine is CC(C)OCCCC1CCCCC1.CC(C)OCCCN1CCN(C(=O)C(C)C)CC1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC(C)OCCCN1CCNCC1.CC(C)OCCCN1CCOCC1.CC(C)OCCCS(=O)(=O)N1CCN(C)CC1.CC(C)OCCCS(=O)(=O)N1CCOCC1.CCN1CCC(CCCOC(C)C)CC1.CCN1CCN(CCCOC(C)C)CC1.
What is the InChIKey of 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The InChIKey is VRZONDKMLRDNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.C13H28N2O.C13H27NO.C12H26N2O.C12H24O.C11H24N2O3S.C11H24N2O.C10H22N2O.C10H21NO4S.C10H21NO2/c1-12(2)14(17)16-9-7-15(8-10-16)6-5-11-18-13(3)4;1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;1-4-14-9-7-13(8-10-14)6-5-11-15-12(2)3;1-4-13-7-9-14(10-8-13)6-5-11-15-12(2)3;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-11(2)16-9-4-10-17(14,15)13-7-5-12(3)6-8-13;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-10(2)13-9-3-6-12-7-4-11-5-8-12;1-10(2)15-6-3-9-16(12,13)11-4-7-14-8-5-11;1-10(2)13-7-3-4-11-5-8-12-9-6-11/h12-13H,5-11H2,1-4H3;12-13H,5-11H2,1-4H3;12-13H,4-11H2,1-3H3;12H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3;11H,4-10H2,1-3H3;11H,4-10H2,1-3H3;10-11H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine has a molecular weight of 2186.46 g/mol, XLogP of 15.30, 56 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(3-propan-2-yloxypropyl)piperazine;1-ethyl-4-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-methyl-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]propan-1-one;1-methyl-4-(3-propan-2-yloxypropylsulfonyl)piperazine;3-propan-2-yloxypropylcyclohexane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperazine;4-(3-propan-2-yloxypropylsulfonyl)morpholine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine is sourced from PubChem (CID 161383244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).