(4R)-4-(4-tert-butylphenyl)piperidin-2-one

C15H21NO — CID 129394297

IUPAC(4R)-4-(4-tert-butylphenyl)piperidin-2-one
SMILESCC(C)(C)c1ccc([C@@H]2CCNC(=O)C2)cc1
InChIInChI=1S/C15H21NO/c1-15(2,3)13-6-4-11(5-7-13)12-8-9-16-14(17)10-12/h4-7,12H,8-10H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyGHCLKPKOOUCXDF-GFCCVEGCSA-N
MW231.34 g/mol
LogP2.98
Rot. Bonds1

About (4R)-4-(4-tert-butylphenyl)piperidin-2-one

(4R)-4-(4-tert-butylphenyl)piperidin-2-one (PubChem CID 129394297) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (4R)-4-(4-tert-butylphenyl)piperidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-tert-butylphenyl)piperidin-2-one
PubChem CID129394297
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(4R)-4-(4-tert-butylphenyl)piperidin-2-one
SMILESCC(C)(C)c1ccc([C@@H]2CCNC(=O)C2)cc1
InChIInChI=1S/C15H21NO/c1-15(2,3)13-6-4-11(5-7-13)12-8-9-16-14(17)10-12/h4-7,12H,8-10H2,1-3H3,(H,16,17)/t12-/m1/s1
InChIKeyGHCLKPKOOUCXDF-GFCCVEGCSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-tert-butylphenyl)piperidin-2-one
CID 58901934
(4S)-4-[4-(chloromethyl)phenyl]piperidin-2-one
CID 124634482
N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide
CID 167913357
(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one
CID 124634598
(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634582
(4S)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634583
4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one
CID 176969199
morpholine;4-phenylpiperidin-2-one
CID 173352656
4-(4-tert-butylphenyl)oxane-2,6-dione
CID 11043043
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
3-(4-tert-butylphenyl)piperidine
CID 24904200

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-tert-butylphenyl)piperidin-2-one?
The IUPAC name of (4R)-4-(4-tert-butylphenyl)piperidin-2-one (CID 129394297) is (4R)-4-(4-tert-butylphenyl)piperidin-2-one.
What is the SMILES notation for (4R)-4-(4-tert-butylphenyl)piperidin-2-one?
The canonical SMILES for (4R)-4-(4-tert-butylphenyl)piperidin-2-one is CC(C)(C)c1ccc([C@@H]2CCNC(=O)C2)cc1.
What is the InChIKey of (4R)-4-(4-tert-butylphenyl)piperidin-2-one?
The InChIKey is GHCLKPKOOUCXDF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO/c1-15(2,3)13-6-4-11(5-7-13)12-8-9-16-14(17)10-12/h4-7,12H,8-10H2,1-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of (4R)-4-(4-tert-butylphenyl)piperidin-2-one?
(4R)-4-(4-tert-butylphenyl)piperidin-2-one has a molecular weight of 231.34 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-tert-butylphenyl)piperidin-2-one is sourced from PubChem (CID 129394297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).