1-[(1S)-3-methyl-1-phenylbutyl]piperidine

C16H25N — CID 92967702

IUPAC1-[(1S)-3-methyl-1-phenylbutyl]piperidine
SMILESCC(C)C[C@@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H25N/c1-14(2)13-16(15-9-5-3-6-10-15)17-11-7-4-8-12-17/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3/t16-/m0/s1
InChIKeyQEABMSMLXZGZMD-INIZCTEOSA-N
MW231.38 g/mol
LogP4.26
Rot. Bonds4

About 1-[(1S)-3-methyl-1-phenylbutyl]piperidine

1-[(1S)-3-methyl-1-phenylbutyl]piperidine (PubChem CID 92967702) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-[(1S)-3-methyl-1-phenylbutyl]piperidine.

Molecular Properties

Compound Name1-[(1S)-3-methyl-1-phenylbutyl]piperidine
PubChem CID92967702
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-[(1S)-3-methyl-1-phenylbutyl]piperidine
SMILESCC(C)C[C@@H](c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H25N/c1-14(2)13-16(15-9-5-3-6-10-15)17-11-7-4-8-12-17/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3/t16-/m0/s1
InChIKeyQEABMSMLXZGZMD-INIZCTEOSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-[1-(4-chlorophenyl)-3-methylbutyl]pyrrolidine;hydrochloride
CID 3057474
lithium 1-(1-phenylbutyl)piperidine
CID 87565541
1-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]pyrrolidine
CID 10657531
1-(2-methoxy-1-phenylethyl)pyrrolidine
CID 59124240
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
2-[1-(3-methyl-1-phenylbutyl)piperidin-3-yl]acetic acid
CID 65059897
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
3-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83936530
[1-(4-methylphenyl)-3-phenyl-3-piperidin-1-ylpropyl]carbamic acid
CID 57092140
3-(azepan-1-yl)-3-phenylpropanethioamide
CID 62779278

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-methyl-1-phenylbutyl]piperidine?
The IUPAC name of 1-[(1S)-3-methyl-1-phenylbutyl]piperidine (CID 92967702) is 1-[(1S)-3-methyl-1-phenylbutyl]piperidine.
What is the SMILES notation for 1-[(1S)-3-methyl-1-phenylbutyl]piperidine?
The canonical SMILES for 1-[(1S)-3-methyl-1-phenylbutyl]piperidine is CC(C)C[C@@H](c1ccccc1)N1CCCCC1.
What is the InChIKey of 1-[(1S)-3-methyl-1-phenylbutyl]piperidine?
The InChIKey is QEABMSMLXZGZMD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H25N/c1-14(2)13-16(15-9-5-3-6-10-15)17-11-7-4-8-12-17/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(1S)-3-methyl-1-phenylbutyl]piperidine?
1-[(1S)-3-methyl-1-phenylbutyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-methyl-1-phenylbutyl]piperidine is sourced from PubChem (CID 92967702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).