1-(3-methylbutan-2-yl)-2-phenylpiperidine

C16H25N — CID 175286836

IUPAC1-(3-methylbutan-2-yl)-2-phenylpiperidine
SMILESCC(C)C(C)N1CCCCC1c1ccccc1
InChIInChI=1S/C16H25N/c1-13(2)14(3)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3
InChIKeyBPYYAFXLSOHCNK-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.26
Rot. Bonds3

About 1-(3-methylbutan-2-yl)-2-phenylpiperidine

1-(3-methylbutan-2-yl)-2-phenylpiperidine (PubChem CID 175286836) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-2-phenylpiperidine.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-2-phenylpiperidine
PubChem CID175286836
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name1-(3-methylbutan-2-yl)-2-phenylpiperidine
SMILESCC(C)C(C)N1CCCCC1c1ccccc1
InChIInChI=1S/C16H25N/c1-13(2)14(3)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3
InChIKeyBPYYAFXLSOHCNK-UHFFFAOYSA-N
XLogP4.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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

(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
1-butan-2-yl-2-phenylpiperidine
CID 167239134
(2S)-2-(4-bromophenyl)-1-[(1R)-1-phenylethyl]piperidine
CID 118395762
1-methyl-2-phenylazepane
CID 23447707
4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline
CID 61263705
(2R)-2-(4-fluorophenyl)-1-propan-2-ylpiperidine
CID 124501109
N,N-dimethyl-2-phenylpiperidin-1-amine
CID 150714431
3-[(2R)-1-[(1S)-1-phenylethyl]pyrrolidin-2-yl]pyridine
CID 101170650
1-ethyl-2-phenylazepane
CID 59678181
5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine
CID 64934608
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
1-(2-phenylpiperidin-1-yl)ethanethione
CID 150861838

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-2-phenylpiperidine?
The IUPAC name of 1-(3-methylbutan-2-yl)-2-phenylpiperidine (CID 175286836) is 1-(3-methylbutan-2-yl)-2-phenylpiperidine.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-2-phenylpiperidine?
The canonical SMILES for 1-(3-methylbutan-2-yl)-2-phenylpiperidine is CC(C)C(C)N1CCCCC1c1ccccc1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-2-phenylpiperidine?
The InChIKey is BPYYAFXLSOHCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)14(3)17-12-8-7-11-16(17)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,7-8,11-12H2,1-3H3.
What are the key properties of 1-(3-methylbutan-2-yl)-2-phenylpiperidine?
1-(3-methylbutan-2-yl)-2-phenylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-2-phenylpiperidine is sourced from PubChem (CID 175286836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).