(7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

C23H30N2O — CID 24894431

IUPAC(7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESCC1(c2ccccc2)CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1
InChIInChI=1S/C23H30N2O/c1-23(20-7-3-2-4-8-20)11-14-25(15-12-23)17-18-9-10-19-6-5-13-24-22(19)21(26)16-18/h2-8,13,18,21,26H,9-12,14-17H2,1H3/t18-,21+/m1/s1
InChIKeyYKLQISOTHKATHJ-NQIIRXRSSA-N
MW350.51 g/mol
LogP4.12
Rot. Bonds3

About (7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

(7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (PubChem CID 24894431) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name(7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
PubChem CID24894431
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESCC1(c2ccccc2)CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1
InChIInChI=1S/C23H30N2O/c1-23(20-7-3-2-4-8-20)11-14-25(15-12-23)17-18-9-10-19-6-5-13-24-22(19)21(26)16-18/h2-8,13,18,21,26H,9-12,14-17H2,1H3/t18-,21+/m1/s1
InChIKeyYKLQISOTHKATHJ-NQIIRXRSSA-N
XLogP4.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The IUPAC name of (7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (CID 24894431) is (7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for (7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for (7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is CC1(c2ccccc2)CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1.
What is the InChIKey of (7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The InChIKey is YKLQISOTHKATHJ-NQIIRXRSSA-N. The full InChI is InChI=1S/C23H30N2O/c1-23(20-7-3-2-4-8-20)11-14-25(15-12-23)17-18-9-10-19-6-5-13-24-22(19)21(26)16-18/h2-8,13,18,21,26H,9-12,14-17H2,1H3/t18-,21+/m1/s1.
What are the key properties of (7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
(7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol has a molecular weight of 350.51 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,9S)-7-[(4-methyl-4-phenylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 24894431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).