(3S)-3-(2-tert-butylphenyl)piperidine

C15H23N — CID 118547022

IUPAC(3S)-3-(2-tert-butylphenyl)piperidine
SMILESCC(C)(C)c1ccccc1[C@@H]1CCCNC1
InChIInChI=1S/C15H23N/c1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3/t12-/m1/s1
InChIKeyHJKMYUOXWSXFCR-GFCCVEGCSA-N
MW217.36 g/mol
LogP3.45
Rot. Bonds1

About (3S)-3-(2-tert-butylphenyl)piperidine

(3S)-3-(2-tert-butylphenyl)piperidine (PubChem CID 118547022) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (3S)-3-(2-tert-butylphenyl)piperidine.

Molecular Properties

Compound Name(3S)-3-(2-tert-butylphenyl)piperidine
PubChem CID118547022
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(3S)-3-(2-tert-butylphenyl)piperidine
SMILESCC(C)(C)c1ccccc1[C@@H]1CCCNC1
InChIInChI=1S/C15H23N/c1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3/t12-/m1/s1
InChIKeyHJKMYUOXWSXFCR-GFCCVEGCSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-(2-methylphenyl)piperidine
CID 144655647
3-(2-methylsulfonylphenyl)piperidine
CID 82388241
3-(3-methyl-2-phenylphenyl)piperidine
CID 143194831
3-(4-tert-butylphenyl)piperidine
CID 24904200
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
3-[2-(3,3-dimethylcyclohexyl)phenyl]piperidine
CID 117431737
(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046
3-(2,3-dichlorophenyl)piperidine
CID 24904244
(3R)-3-(2,3-difluorophenyl)piperidine
CID 93478481
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960
(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine
CID 143821603
1-methyl-3-piperidin-3-ylpyridin-2-one
CID 166162666

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-tert-butylphenyl)piperidine?
The IUPAC name of (3S)-3-(2-tert-butylphenyl)piperidine (CID 118547022) is (3S)-3-(2-tert-butylphenyl)piperidine.
What is the SMILES notation for (3S)-3-(2-tert-butylphenyl)piperidine?
The canonical SMILES for (3S)-3-(2-tert-butylphenyl)piperidine is CC(C)(C)c1ccccc1[C@@H]1CCCNC1.
What is the InChIKey of (3S)-3-(2-tert-butylphenyl)piperidine?
The InChIKey is HJKMYUOXWSXFCR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N/c1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12/h4-5,8-9,12,16H,6-7,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (3S)-3-(2-tert-butylphenyl)piperidine?
(3S)-3-(2-tert-butylphenyl)piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-tert-butylphenyl)piperidine is sourced from PubChem (CID 118547022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).