4-(4-benzhydrylpiperidin-1-yl)butan-1-amine

C22H30N2 — CID 21192630

IUPAC4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
SMILESNCCCCN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H30N2/c23-15-7-8-16-24-17-13-21(14-18-24)22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18,23H2
InChIKeyVYPRTVNPBAJTNS-UHFFFAOYSA-N
MW322.50 g/mol
LogP4.27
Rot. Bonds7

About 4-(4-benzhydrylpiperidin-1-yl)butan-1-amine

4-(4-benzhydrylpiperidin-1-yl)butan-1-amine (PubChem CID 21192630) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 4-(4-benzhydrylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
PubChem CID21192630
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
SMILESNCCCCN1CCC(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H30N2/c23-15-7-8-16-24-17-13-21(14-18-24)22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18,23H2
InChIKeyVYPRTVNPBAJTNS-UHFFFAOYSA-N
XLogP4.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-benzhydrylpiperidin-1-yl)-1-phenylbutan-1-ol
CID 19937449
2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
CID 131855350
ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
4-[bis(4-fluorophenyl)methyl]-1-(4-phenoxybutyl)piperidine
CID 14407082
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
2-[4-[4-(4-benzhydrylpiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid
CID 20572775
2-(4-benzhydrylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 59104361
N'-[3-(4-benzhydrylpiperidin-1-yl)propylamino]-N-methyl-N-phenylmethanimidamide
CID 139917684
2-[4-(3-aminopropyl)piperazin-1-yl]-1-phenylethanol
CID 112513599
2-[4-[4-[4-[(S)-(4-hydroxyphenyl)-phenylmethyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoic acid
CID 97303963

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 4-(4-benzhydrylpiperidin-1-yl)butan-1-amine (CID 21192630) is 4-(4-benzhydrylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-benzhydrylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-benzhydrylpiperidin-1-yl)butan-1-amine is NCCCCN1CCC(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(4-benzhydrylpiperidin-1-yl)butan-1-amine?
The InChIKey is VYPRTVNPBAJTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c23-15-7-8-16-24-17-13-21(14-18-24)22(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18,23H2.
What are the key properties of 4-(4-benzhydrylpiperidin-1-yl)butan-1-amine?
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine has a molecular weight of 322.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 21192630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).