1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol

C18H23Cl2NO — CID 58772507

IUPAC1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol
SMILESOC1(c2cc(Cl)cc(Cl)c2)CCN(C2C[C@H]3CCC2C3)CC1
InChIInChI=1S/C18H23Cl2NO/c19-15-9-14(10-16(20)11-15)18(22)3-5-21(6-4-18)17-8-12-1-2-13(17)7-12/h9-13,17,22H,1-8H2/t12-,13?,17?/m0/s1
InChIKeyWCJJTHWOJSEWSO-POZPTJLLSA-N
MW340.29 g/mol
LogP4.47
Rot. Bonds2

About 1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol

1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol (PubChem CID 58772507) has the molecular formula C18H23Cl2NO and a molecular weight of 340.29 g/mol. Its IUPAC name is 1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol
PubChem CID58772507
Molecular FormulaC18H23Cl2NO
Molecular Weight340.29 g/mol
Exact Mass339.12
IUPAC Name1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol
SMILESOC1(c2cc(Cl)cc(Cl)c2)CCN(C2C[C@H]3CCC2C3)CC1
InChIInChI=1S/C18H23Cl2NO/c19-15-9-14(10-16(20)11-15)18(22)3-5-21(6-4-18)17-8-12-1-2-13(17)7-12/h9-13,17,22H,1-8H2/t12-,13?,17?/m0/s1
InChIKeyWCJJTHWOJSEWSO-POZPTJLLSA-N
XLogP4.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol?
The IUPAC name of 1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol (CID 58772507) is 1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol is OC1(c2cc(Cl)cc(Cl)c2)CCN(C2C[C@H]3CCC2C3)CC1.
What is the InChIKey of 1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol?
The InChIKey is WCJJTHWOJSEWSO-POZPTJLLSA-N. The full InChI is InChI=1S/C18H23Cl2NO/c19-15-9-14(10-16(20)11-15)18(22)3-5-21(6-4-18)17-8-12-1-2-13(17)7-12/h9-13,17,22H,1-8H2/t12-,13?,17?/m0/s1.
What are the key properties of 1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol?
1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol has a molecular weight of 340.29 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2-bicyclo[2.2.1]heptanyl]-4-(3,5-dichlorophenyl)piperidin-4-ol is sourced from PubChem (CID 58772507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).