(1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

C21H33NO — CID 15925804

IUPAC(1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)[C@H](O)C1
InChIInChI=1S/C21H33NO/c1-21(2,3)18-9-10-19(20(23)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
InChIKeyCOXOYXRGCYKRBB-XUVXKRRUSA-N
MW315.50 g/mol
LogP4.44
Rot. Bonds2

About (1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

(1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 15925804) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is (1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID15925804
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name(1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)[C@H](O)C1
InChIInChI=1S/C21H33NO/c1-21(2,3)18-9-10-19(20(23)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
InChIKeyCOXOYXRGCYKRBB-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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Related Compounds

CID 659840
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CID 5662
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CID 212231
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CID 833992
CID 833992
CID 15925918
CID 15925918
CID 6603219
CID 6603219
CID 3078230
CID 3078230
CID 44382932
CID 44382932
CID 9862398
CID 9862398
CID 10335743
CID 10335743
CID 44450421
CID 44450421
CID 3078239
CID 3078239

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of (1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (CID 15925804) is (1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is CC(C)(C)[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)[C@H](O)C1.
What is the InChIKey of (1R,2R,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is COXOYXRGCYKRBB-XUVXKRRUSA-N. The full InChI is InChI=1S/C21H33NO/c1-21(2,3)18-9-10-19(20(23)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,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
(1R,2R,5S)-5-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,5S)-5-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 15925804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).