(1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

C21H33NO — CID 15925801

IUPAC(1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C21H33NO/c1-21(2,3)18-9-10-20(23)19(15-18)22-13-11-17(12-14-22)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3/t18-,19+,20+/m0/s1
InChIKeyRPVNWNSCIMFVSA-XUVXKRRUSA-N
MW315.50 g/mol
LogP4.44
Rot. Bonds2

About (1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

(1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 15925801) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is (1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID15925801
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name(1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C21H33NO/c1-21(2,3)18-9-10-20(23)19(15-18)22-13-11-17(12-14-22)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3/t18-,19+,20+/m0/s1
InChIKeyRPVNWNSCIMFVSA-XUVXKRRUSA-N
XLogP4.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of (1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (CID 15925801) is (1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is CC(C)(C)[C@H]1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of (1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is RPVNWNSCIMFVSA-XUVXKRRUSA-N. The full InChI is InChI=1S/C21H33NO/c1-21(2,3)18-9-10-20(23)19(15-18)22-13-11-17(12-14-22)16-7-5-4-6-8-16/h4-8,17-20,23H,9-15H2,1-3H3/t18-,19+,20+/m0/s1.
What are the key properties of (1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
(1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 315.50 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 15925801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).