1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine

C65H139N7O6 — CID 157068023

IUPAC1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
SMILESCC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCC[C@H](C)C1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC1CCCN(CCCOC(C)C)C1.CCCOC(C)C
InChIInChI=1S/C13H28N2O.2C12H25NO.C11H24N2O.C11H23NO.C6H14O/c1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;2*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-4-5-7-6(2)3/h12-13H,5-11H2,1-4H3;2*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;6H,4-5H2,1-3H3/t;12-;;;;/m.0..../s1
InChIKeyACCJAKXFMJNZIO-DYWLQACDSA-N
MW1114.87 g/mol
LogP12.05
Rot. Bonds29

About 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine

1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine (PubChem CID 157068023) has the molecular formula C65H139N7O6 and a molecular weight of 1114.87 g/mol. Its IUPAC name is 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
PubChem CID157068023
Molecular FormulaC65H139N7O6
Molecular Weight1114.87 g/mol
Exact Mass1114.08
IUPAC Name1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
SMILESCC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCC[C@H](C)C1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC1CCCN(CCCOC(C)C)C1.CCCOC(C)C
InChIInChI=1S/C13H28N2O.2C12H25NO.C11H24N2O.C11H23NO.C6H14O/c1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;2*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-4-5-7-6(2)3/h12-13H,5-11H2,1-4H3;2*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;6H,4-5H2,1-3H3/t;12-;;;;/m.0..../s1
InChIKeyACCJAKXFMJNZIO-DYWLQACDSA-N
XLogP12.05
TPSA78.06 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001114.87
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The IUPAC name of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine (CID 157068023) is 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine is CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCC[C@H](C)C1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC1CCCN(CCCOC(C)C)C1.CCCOC(C)C.
What is the InChIKey of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The InChIKey is ACCJAKXFMJNZIO-DYWLQACDSA-N. The full InChI is InChI=1S/C13H28N2O.2C12H25NO.C11H24N2O.C11H23NO.C6H14O/c1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;2*1-11(2)14-9-5-8-13-7-4-6-12(3)10-13;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-4-5-7-6(2)3/h12-13H,5-11H2,1-4H3;2*11-12H,4-10H2,1-3H3;11H,4-10H2,1-3H3;11H,3-10H2,1-2H3;6H,4-5H2,1-3H3/t;12-;;;;/m.0..../s1.
What are the key properties of 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine has a molecular weight of 1114.87 g/mol, XLogP of 12.05, 29 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-propan-2-yloxypropyl)piperazine;3-methyl-1-(3-propan-2-yloxypropyl)piperidine;(3S)-3-methyl-1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yloxypropane;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine is sourced from PubChem (CID 157068023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).