(2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine

C30H44N2 — CID 130267913

IUPAC(2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine
SMILESCC(C)(C)c1ccc(C2CCN[C@@H](c3ccccc3C(C)(C)C)C2)cc1[C@@H]1CCCCN1
InChIInChI=1S/C30H44N2/c1-29(2,3)25-12-8-7-11-23(25)28-20-22(16-18-32-28)21-14-15-26(30(4,5)6)24(19-21)27-13-9-10-17-31-27/h7-8,11-12,14-15,19,22,27-28,31-32H,9-10,13,16-18,20H2,1-6H3/t22?,27-,28+/m0/s1
InChIKeyGQCRDYBEOLPVPK-LPRJAOSGSA-N
MW432.70 g/mol
LogP7.30
Rot. Bonds3

About (2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine

(2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine (PubChem CID 130267913) has the molecular formula C30H44N2 and a molecular weight of 432.70 g/mol. Its IUPAC name is (2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine.

Molecular Properties

Compound Name(2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine
PubChem CID130267913
Molecular FormulaC30H44N2
Molecular Weight432.70 g/mol
Exact Mass432.35
IUPAC Name(2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine
SMILESCC(C)(C)c1ccc(C2CCN[C@@H](c3ccccc3C(C)(C)C)C2)cc1[C@@H]1CCCCN1
InChIInChI=1S/C30H44N2/c1-29(2,3)25-12-8-7-11-23(25)28-20-22(16-18-32-28)21-14-15-26(30(4,5)6)24(19-21)27-13-9-10-17-31-27/h7-8,11-12,14-15,19,22,27-28,31-32H,9-10,13,16-18,20H2,1-6H3/t22?,27-,28+/m0/s1
InChIKeyGQCRDYBEOLPVPK-LPRJAOSGSA-N
XLogP7.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115005914
2-(4-tert-butylphenyl)piperidine
CID 4137790
(2S)-2-[2-fluoro-3-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195018
9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
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CID 77131701
(2R)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195572
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
4-tert-butyl-7-piperidin-2-ylisoquinoline
CID 117424916
(2S)-2-phenylpiperidine
CID 10997356
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine?
The IUPAC name of (2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine (CID 130267913) is (2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine.
What is the SMILES notation for (2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine?
The canonical SMILES for (2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine is CC(C)(C)c1ccc(C2CCN[C@@H](c3ccccc3C(C)(C)C)C2)cc1[C@@H]1CCCCN1.
What is the InChIKey of (2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine?
The InChIKey is GQCRDYBEOLPVPK-LPRJAOSGSA-N. The full InChI is InChI=1S/C30H44N2/c1-29(2,3)25-12-8-7-11-23(25)28-20-22(16-18-32-28)21-14-15-26(30(4,5)6)24(19-21)27-13-9-10-17-31-27/h7-8,11-12,14-15,19,22,27-28,31-32H,9-10,13,16-18,20H2,1-6H3/t22?,27-,28+/m0/s1.
What are the key properties of (2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine?
(2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine has a molecular weight of 432.70 g/mol, XLogP of 7.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-tert-butylphenyl)-4-[4-tert-butyl-3-[(2S)-piperidin-2-yl]phenyl]piperidine is sourced from PubChem (CID 130267913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).