(7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol

C24H32N2O — CID 24894425

IUPAC(7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol
SMILESCc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1
InChIInChI=1S/C24H32N2O/c1-18-6-3-4-8-22(18)20-11-14-26(15-12-20)17-19-9-10-21-7-5-13-25-23(21)24(2,27)16-19/h3-8,13,19-20,27H,9-12,14-17H2,1-2H3/t19-,24?/m1/s1
InChIKeyLLVIHIGNWJROAZ-PHSANKKPSA-N
MW364.53 g/mol
LogP4.43
Rot. Bonds3

About (7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol

(7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol (PubChem CID 24894425) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is (7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name(7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol
PubChem CID24894425
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name(7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol
SMILESCc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1
InChIInChI=1S/C24H32N2O/c1-18-6-3-4-8-22(18)20-11-14-26(15-12-20)17-19-9-10-21-7-5-13-25-23(21)24(2,27)16-19/h3-8,13,19-20,27H,9-12,14-17H2,1-2H3/t19-,24?/m1/s1
InChIKeyLLVIHIGNWJROAZ-PHSANKKPSA-N
XLogP4.43
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol?
The IUPAC name of (7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol (CID 24894425) is (7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol.
What is the SMILES notation for (7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol?
The canonical SMILES for (7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol is Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C(C)(O)C2)CC1.
What is the InChIKey of (7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol?
The InChIKey is LLVIHIGNWJROAZ-PHSANKKPSA-N. The full InChI is InChI=1S/C24H32N2O/c1-18-6-3-4-8-22(18)20-11-14-26(15-12-20)17-19-9-10-21-7-5-13-25-23(21)24(2,27)16-19/h3-8,13,19-20,27H,9-12,14-17H2,1-2H3/t19-,24?/m1/s1.
What are the key properties of (7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol?
(7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol has a molecular weight of 364.53 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-9-methyl-7-[[4-(2-methylphenyl)piperidin-1-yl]methyl]-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 24894425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).