1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride

C20H39ClN2O2 — CID 119663469

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride
SMILESCCCC(CC1CCCCC1)C(=O)N1CCC(OCCCN)CC1.Cl
InChIInChI=1S/C20H38N2O2.ClH/c1-2-7-18(16-17-8-4-3-5-9-17)20(23)22-13-10-19(11-14-22)24-15-6-12-21;/h17-19H,2-16,21H2,1H3;1H
InChIKeyZCSRGPHNBKDDHO-UHFFFAOYSA-N
MW375.00 g/mol
LogP4.15
Rot. Bonds9

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride (PubChem CID 119663469) has the molecular formula C20H39ClN2O2 and a molecular weight of 375.00 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride
PubChem CID119663469
Molecular FormulaC20H39ClN2O2
Molecular Weight375.00 g/mol
Exact Mass374.27
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride
SMILESCCCC(CC1CCCCC1)C(=O)N1CCC(OCCCN)CC1.Cl
InChIInChI=1S/C20H38N2O2.ClH/c1-2-7-18(16-17-8-4-3-5-9-17)20(23)22-13-10-19(11-14-22)24-15-6-12-21;/h17-19H,2-16,21H2,1H3;1H
InChIKeyZCSRGPHNBKDDHO-UHFFFAOYSA-N
XLogP4.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.00
LogP ≤ 54.15
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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Related Compounds

N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119664253
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one
CID 119562388
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one
CID 119410735
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
CID 119664240
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one;hydrochloride
CID 119594215
2-[4-(3-aminopropoxy)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 79735407
[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119543004
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride (CID 119663469) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride is CCCC(CC1CCCCC1)C(=O)N1CCC(OCCCN)CC1.Cl.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride?
The InChIKey is ZCSRGPHNBKDDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2.ClH/c1-2-7-18(16-17-8-4-3-5-9-17)20(23)22-13-10-19(11-14-22)24-15-6-12-21;/h17-19H,2-16,21H2,1H3;1H.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride has a molecular weight of 375.00 g/mol, XLogP of 4.15, 9 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]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119663469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).