1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone

C22H28N2O2 — CID 119663605

IUPAC1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
SMILESNCCCOC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c23-14-7-17-26-20-12-15-24(16-13-20)22(25)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,23H2
InChIKeyNDFZACIBPWSKNO-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.17
Rot. Bonds7

About 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone

1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone (PubChem CID 119663605) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
PubChem CID119663605
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone
SMILESNCCCOC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c23-14-7-17-26-20-12-15-24(16-13-20)22(25)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,23H2
InChIKeyNDFZACIBPWSKNO-UHFFFAOYSA-N
XLogP3.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.17
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-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide
CID 119661612
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-[ethyl(methyl)amino]-2-phenylethanone
CID 119663844
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119663039
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110725272
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-benzylsulfanyl-3-methylbutan-1-one;hydrochloride
CID 119663139
[4-(3-aminopropoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119661960
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119662804
[4-(3-aminopropoxy)piperidin-1-yl]-(4-phenylcyclohexyl)methanone
CID 119663109
[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride
CID 119662357
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(difluoromethoxy)phenyl]methanone
CID 119662118

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone (CID 119663605) is 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone is NCCCOC1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone?
The InChIKey is NDFZACIBPWSKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c23-14-7-17-26-20-12-15-24(16-13-20)22(25)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,23H2.
What are the key properties of 1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone?
1-[4-(3-aminopropoxy)piperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 352.48 g/mol, XLogP of 3.17, 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]-2,2-diphenylethanone is sourced from PubChem (CID 119663605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).