1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol

C21H30ClNO2 — CID 58772186

IUPAC1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccc(Cl)cc1C1(O)CCN(C2CCCC3CCC2C3)CC1
InChIInChI=1S/C21H30ClNO2/c1-25-20-8-7-17(22)14-18(20)21(24)9-11-23(12-10-21)19-4-2-3-15-5-6-16(19)13-15/h7-8,14-16,19,24H,2-6,9-13H2,1H3
InChIKeyIJXPPHMVMYNLNK-UHFFFAOYSA-N
MW363.93 g/mol
LogP4.60
Rot. Bonds3

About 1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol

1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol (PubChem CID 58772186) has the molecular formula C21H30ClNO2 and a molecular weight of 363.93 g/mol. Its IUPAC name is 1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol
PubChem CID58772186
Molecular FormulaC21H30ClNO2
Molecular Weight363.93 g/mol
Exact Mass363.20
IUPAC Name1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol
SMILESCOc1ccc(Cl)cc1C1(O)CCN(C2CCCC3CCC2C3)CC1
InChIInChI=1S/C21H30ClNO2/c1-25-20-8-7-17(22)14-18(20)21(24)9-11-23(12-10-21)19-4-2-3-15-5-6-16(19)13-15/h7-8,14-16,19,24H,2-6,9-13H2,1H3
InChIKeyIJXPPHMVMYNLNK-UHFFFAOYSA-N
XLogP4.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol?
The IUPAC name of 1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol (CID 58772186) is 1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol.
What is the SMILES notation for 1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol?
The canonical SMILES for 1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol is COc1ccc(Cl)cc1C1(O)CCN(C2CCCC3CCC2C3)CC1.
What is the InChIKey of 1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol?
The InChIKey is IJXPPHMVMYNLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClNO2/c1-25-20-8-7-17(22)14-18(20)21(24)9-11-23(12-10-21)19-4-2-3-15-5-6-16(19)13-15/h7-8,14-16,19,24H,2-6,9-13H2,1H3.
What are the key properties of 1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol?
1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol has a molecular weight of 363.93 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[4.2.1]nonanyl)-4-(5-chloro-2-methoxyphenyl)piperidin-4-ol is sourced from PubChem (CID 58772186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).