2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine

C18H30N2 — CID 57046178

IUPAC2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine
SMILESCCCCN1CCCCC1CC(NC)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-4-13-20-14-9-8-12-17(20)15-18(19-2)16-10-6-5-7-11-16/h5-7,10-11,17-19H,3-4,8-9,12-15H2,1-2H3
InChIKeyQIQDXIPHTYMUIY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds7

About 2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine

2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine (PubChem CID 57046178) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine
PubChem CID57046178
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine
SMILESCCCCN1CCCCC1CC(NC)c1ccccc1
InChIInChI=1S/C18H30N2/c1-3-4-13-20-14-9-8-12-17(20)15-18(19-2)16-10-6-5-7-11-16/h5-7,10-11,17-19H,3-4,8-9,12-15H2,1-2H3
InChIKeyQIQDXIPHTYMUIY-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(1-methylpiperidin-2-yl)-1-phenylethanamine
CID 57173334
N-[(1-methylpiperidin-2-yl)methyl]-1-phenylhexan-1-amine
CID 63455775
1-(1-benzylpiperidin-2-yl)-N-methylpropan-2-amine
CID 83982317
1-butyl-2-phenylpiperidine
CID 10036306
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
CID 104692074
1-(3-fluorophenyl)-N-methyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83046131
(2S)-1-butyl-2-[(1R)-2-methoxy-1-phenylethyl]piperidine
CID 57340370
1-(1-heptylazepan-2-yl)propan-2-ol
CID 114338882
N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 133301225
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111464659
2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
CID 111490186
2-[2-(1-butylpiperidin-2-yl)ethyl]aniline
CID 20560089

Frequently Asked Questions

What is the IUPAC name of 2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine (CID 57046178) is 2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine is CCCCN1CCCCC1CC(NC)c1ccccc1.
What is the InChIKey of 2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine?
The InChIKey is QIQDXIPHTYMUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-4-13-20-14-9-8-12-17(20)15-18(19-2)16-10-6-5-7-11-16/h5-7,10-11,17-19H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of 2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine?
2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylpiperidin-2-yl)-N-methyl-1-phenylethanamine is sourced from PubChem (CID 57046178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).