1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one

C18H34N2O2 — CID 119664240

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
SMILESCC(CC(=O)N1CCC(OCCCN)CC1)C1CCCCC1
InChIInChI=1S/C18H34N2O2/c1-15(16-6-3-2-4-7-16)14-18(21)20-11-8-17(9-12-20)22-13-5-10-19/h15-17H,2-14,19H2,1H3
InChIKeyRQDDAXYFCKCJIQ-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.95
Rot. Bonds7

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one

1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one (PubChem CID 119664240) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
PubChem CID119664240
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
SMILESCC(CC(=O)N1CCC(OCCCN)CC1)C1CCCCC1
InChIInChI=1S/C18H34N2O2/c1-15(16-6-3-2-4-7-16)14-18(21)20-11-8-17(9-12-20)22-13-5-10-19/h15-17H,2-14,19H2,1H3
InChIKeyRQDDAXYFCKCJIQ-UHFFFAOYSA-N
XLogP2.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one (CID 119664240) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one is CC(CC(=O)N1CCC(OCCCN)CC1)C1CCCCC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one?
The InChIKey is RQDDAXYFCKCJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-15(16-6-3-2-4-7-16)14-18(21)20-11-8-17(9-12-20)22-13-5-10-19/h15-17H,2-14,19H2,1H3.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one?
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one has a molecular weight of 310.48 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one is sourced from PubChem (CID 119664240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).