1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine

C45H96N8O — CID 159147257

IUPAC1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine
SMILESCC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O.C9H20N2.C8H18N2.2C8H17N/c1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9/h11-12H,3-10H2,1-2H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3
InChIKeyKIVLKPCWFQJOMT-UHFFFAOYSA-N
MW765.32 g/mol
LogP6.63
Rot. Bonds7

About 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine

1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine (PubChem CID 159147257) has the molecular formula C45H96N8O and a molecular weight of 765.32 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine
PubChem CID159147257
Molecular FormulaC45H96N8O
Molecular Weight765.32 g/mol
Exact Mass764.77
IUPAC Name1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine
SMILESCC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O.C9H20N2.C8H18N2.2C8H17N/c1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9/h11-12H,3-10H2,1-2H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3
InChIKeyKIVLKPCWFQJOMT-UHFFFAOYSA-N
XLogP6.63
TPSA35.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.32
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

4,4-Difluoro-1-propan-2-ylpiperidine;methane;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine)
CID 157749649
4,4-Difluoro-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;bis(1-propan-2-ylpiperidine)
CID 161332701
N-[2-[bis[3-[bis(2-morpholin-4-ylethyl)amino]propyl]amino]ethyl]-N-[3-[bis(2-morpholin-4-ylethyl)amino]propyl]-N',N'-bis(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 58592019
N,1-dimethyl-N-[2-(4-morpholin-4-ylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 91213420
1,3-bis(4-methylpiperazin-1-yl)propan-2-amine;1-butylpiperidine;N,N-diethyl-2-methylpropan-1-amine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperidine;N,N,2,2-tetramethylpropan-1-amine
CID 91291877
4-[[3-[4-Ethyl-1-[(3-methyl-4-piperidin-1-ylpiperazin-1-yl)methyl]piperazin-2-yl]-4-methylpiperazin-1-yl]methyl]morpholine
CID 130429282
2-[3-[4-(2-Methoxyethyl)piperazin-1-yl]propoxymethyl]-1-methyl-4-[3-[4-[2-[6-(4-methylpiperazin-1-yl)hexoxy]ethyl]piperazin-1-yl]propyl]piperazine
CID 139545989
Ethane;4-(1-methylpiperidin-4-yl)morpholine;1-methyl-4-piperidin-1-ylpiperidine
CID 145138835
1-(2-Methoxyethyl)-4-methyl-2-[4-methyl-1-(1-methylpiperidin-4-yl)piperazin-2-yl]piperazine
CID 146398621
4-[1-[2,3,6-Trimethyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-6-(4-piperidin-1-ylpiperidin-1-yl)heptan-3-yl]piperidin-4-yl]morpholine
CID 156284743
4-[1-[2,4,7-Trimethyl-7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)octan-4-yl]piperidin-4-yl]morpholine
CID 156285211
Bis(1,4-dimethylpiperazine);2-(1,4-dimethylpiperazin-1-ium-1-yl)ethanol;methane;1-methylpiperidine;propane;bis(1,1,4-trimethylpiperazin-1-ium)
CID 157181985

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine (CID 159147257) is 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine.
What is the SMILES notation for 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The canonical SMILES for 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine is CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The InChIKey is KIVLKPCWFQJOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C9H20N2.C8H18N2.2C8H17N/c1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9/h11-12H,3-10H2,1-2H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine?
1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine has a molecular weight of 765.32 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine);4-(1-propan-2-ylpiperidin-4-yl)morpholine is sourced from PubChem (CID 159147257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).