[1-(4-phenylbutyl)piperidin-4-yl]methanamine

C16H26N2 — CID 69419059

IUPAC[1-(4-phenylbutyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c17-14-16-9-12-18(13-10-16)11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,17H2
InChIKeyAPQINFQLVAOFQG-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.68
Rot. Bonds6

About [1-(4-phenylbutyl)piperidin-4-yl]methanamine

[1-(4-phenylbutyl)piperidin-4-yl]methanamine (PubChem CID 69419059) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [1-(4-phenylbutyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-phenylbutyl)piperidin-4-yl]methanamine
PubChem CID69419059
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[1-(4-phenylbutyl)piperidin-4-yl]methanamine
SMILESNCC1CCN(CCCCc2ccccc2)CC1
InChIInChI=1S/C16H26N2/c17-14-16-9-12-18(13-10-16)11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,17H2
InChIKeyAPQINFQLVAOFQG-UHFFFAOYSA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.68
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-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
4-methyl-1-(4-phenylbutyl)piperidine
CID 118534913
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
N-[[1-(4-phenylbutyl)piperidin-4-yl]methyl]ethanamine
CID 114333870
1-[4-(3-phenylpropoxy)butyl]piperidin-4-amine
CID 141012569
1-[3-(4-phenylbutoxy)propyl]piperidin-4-amine
CID 141012583
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
1-(4-phenylbutyl)-4-piperidin-4-ylpiperidine
CID 44592885
3-(bromomethyl)-1-(3-phenylpropyl)pyrrolidine
CID 80691457
3-[4-(4-benzylpiperidin-1-yl)butyl]phenol
CID 57143217
(3S,4R)-4-hydroxy-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 135107489

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenylbutyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(4-phenylbutyl)piperidin-4-yl]methanamine (CID 69419059) is [1-(4-phenylbutyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-phenylbutyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-phenylbutyl)piperidin-4-yl]methanamine is NCC1CCN(CCCCc2ccccc2)CC1.
What is the InChIKey of [1-(4-phenylbutyl)piperidin-4-yl]methanamine?
The InChIKey is APQINFQLVAOFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c17-14-16-9-12-18(13-10-16)11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,16H,4-5,8-14,17H2.
What are the key properties of [1-(4-phenylbutyl)piperidin-4-yl]methanamine?
[1-(4-phenylbutyl)piperidin-4-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenylbutyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 69419059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).