(R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol

C27H27ClN2O — CID 66922921

IUPAC(R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
SMILESO[C@@H](c1cccnc1)C1CCN(CC23C[C@H](c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C27H27ClN2O/c28-20-7-8-22-23-15-27(25(22)14-20,24-6-2-1-5-21(23)24)17-30-12-9-18(10-13-30)26(31)19-4-3-11-29-16-19/h1-8,11,14,16,18,23,26,31H,9-10,12-13,15,17H2/t23-,26-,27?/m1/s1
InChIKeyFAIDZDOWNFSXLC-UTZIHYNGSA-N
MW430.98 g/mol
LogP5.32
Rot. Bonds4

About (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol

(R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol (PubChem CID 66922921) has the molecular formula C27H27ClN2O and a molecular weight of 430.98 g/mol. Its IUPAC name is (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
PubChem CID66922921
Molecular FormulaC27H27ClN2O
Molecular Weight430.98 g/mol
Exact Mass430.18
IUPAC Name(R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
SMILESO[C@@H](c1cccnc1)C1CCN(CC23C[C@H](c4ccccc42)c2ccc(Cl)cc23)CC1
InChIInChI=1S/C27H27ClN2O/c28-20-7-8-22-23-15-27(25(22)14-20,24-6-2-1-5-21(23)24)17-30-12-9-18(10-13-30)26(31)19-4-3-11-29-16-19/h1-8,11,14,16,18,23,26,31H,9-10,12-13,15,17H2/t23-,26-,27?/m1/s1
InChIKeyFAIDZDOWNFSXLC-UTZIHYNGSA-N
XLogP5.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The IUPAC name of (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol (CID 66922921) is (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The canonical SMILES for (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol is O[C@@H](c1cccnc1)C1CCN(CC23C[C@H](c4ccccc42)c2ccc(Cl)cc23)CC1.
What is the InChIKey of (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
The InChIKey is FAIDZDOWNFSXLC-UTZIHYNGSA-N. The full InChI is InChI=1S/C27H27ClN2O/c28-20-7-8-22-23-15-27(25(22)14-20,24-6-2-1-5-21(23)24)17-30-12-9-18(10-13-30)26(31)19-4-3-11-29-16-19/h1-8,11,14,16,18,23,26,31H,9-10,12-13,15,17H2/t23-,26-,27?/m1/s1.
What are the key properties of (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol?
(R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol has a molecular weight of 430.98 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[1-[[(8R)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 66922921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).