(3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine

C16H25N — CID 91090574

IUPAC(3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine
SMILESC[C@@H]1CN(C(C)(C)C)CC[C@H]1c1ccccc1
InChIInChI=1S/C16H25N/c1-13-12-17(16(2,3)4)11-10-15(13)14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3/t13-,15-/m1/s1
InChIKeyFLJYPAYACLJVMY-UKRRQHHQSA-N
MW231.38 g/mol
LogP3.91
Rot. Bonds1

About (3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine

(3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine (PubChem CID 91090574) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine.

Molecular Properties

Compound Name(3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine
PubChem CID91090574
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine
SMILESC[C@@H]1CN(C(C)(C)C)CC[C@H]1c1ccccc1
InChIInChI=1S/C16H25N/c1-13-12-17(16(2,3)4)11-10-15(13)14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3/t13-,15-/m1/s1
InChIKeyFLJYPAYACLJVMY-UKRRQHHQSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807
1-(cyclopropylmethyl)-3-methyl-4-phenylpiperidine;ethane
CID 145118724
(2-methylcyclopentyl)benzene
CID 12600454
3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride
CID 119923167
(3R,4S)-1-tert-butyl-3-(4-methoxyphenyl)-4-methylpyrrolidine
CID 142953909
3,4-dimethyl-1-tritylpiperidine
CID 118534551
1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride
CID 67463353
(3R,4R)-1-tert-butyl-3-(4-fluorophenyl)piperidine-4-carboxylic acid;hydrochloride
CID 71237779
4-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]butanoic acid
CID 124778661
1-[(3S,4R)-3-methyl-4-phenylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124591000
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine?
The IUPAC name of (3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine (CID 91090574) is (3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine.
What is the SMILES notation for (3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine?
The canonical SMILES for (3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine is C[C@@H]1CN(C(C)(C)C)CC[C@H]1c1ccccc1.
What is the InChIKey of (3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine?
The InChIKey is FLJYPAYACLJVMY-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H25N/c1-13-12-17(16(2,3)4)11-10-15(13)14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of (3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine?
(3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine has a molecular weight of 231.38 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-tert-butyl-3-methyl-4-phenylpiperidine is sourced from PubChem (CID 91090574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).