[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone

C21H32N2O2 — CID 119663109

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
SMILESNCCCOC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H32N2O2/c22-13-4-16-25-20-11-14-23(15-12-20)21(24)19-9-7-18(8-10-19)17-5-2-1-3-6-17/h1-3,5-6,18-20H,4,7-16,22H2
InChIKeyFGWUNORWEJCWJM-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.32
Rot. Bonds6

About [4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone (PubChem CID 119663109) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
PubChem CID119663109
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
SMILESNCCCOC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C21H32N2O2/c22-13-4-16-25-20-11-14-23(15-12-20)21(24)19-9-7-18(8-10-19)17-5-2-1-3-6-17/h1-3,5-6,18-20H,4,7-16,22H2
InChIKeyFGWUNORWEJCWJM-UHFFFAOYSA-N
XLogP3.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.32
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

[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 79732328
[4-(3-aminopropoxy)piperidin-1-yl]-(1-benzoylpiperidin-3-yl)methanone
CID 119664357
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
[4-(3-aminopropoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119661960
[4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 119664571
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
CID 119663605
5-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-methyl-6-phenylpiperidin-2-one
CID 119663142
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
1-[2-[4-(3-aminopropoxy)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119663026
[4-(3-aminopropoxy)piperidin-1-yl]-(5-cyclopropyl-1-phenylpyrazol-4-yl)methanone
CID 119663795
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 119662439

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone (CID 119663109) is [4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone is NCCCOC1CCN(C(=O)C2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
The InChIKey is FGWUNORWEJCWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c22-13-4-16-25-20-11-14-23(15-12-20)21(24)19-9-7-18(8-10-19)17-5-2-1-3-6-17/h1-3,5-6,18-20H,4,7-16,22H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone has a molecular weight of 344.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone is sourced from PubChem (CID 119663109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).