1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol

C18H19ClN4O — CID 2809781

IUPAC1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cn2nnc3ccccc32)CC1
InChIInChI=1S/C18H19ClN4O/c19-15-7-5-14(6-8-15)18(24)9-11-22(12-10-18)13-23-17-4-2-1-3-16(17)20-21-23/h1-8,24H,9-13H2
InChIKeyRUDYKQUIESGKSV-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.03
Rot. Bonds3

About 1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol

1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 2809781) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID2809781
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cn2nnc3ccccc32)CC1
InChIInChI=1S/C18H19ClN4O/c19-15-7-5-14(6-8-15)18(24)9-11-22(12-10-18)13-23-17-4-2-1-3-16(17)20-21-23/h1-8,24H,9-13H2
InChIKeyRUDYKQUIESGKSV-UHFFFAOYSA-N
XLogP3.03
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol (CID 2809781) is 1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(Cn2nnc3ccccc32)CC1.
What is the InChIKey of 1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is RUDYKQUIESGKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c19-15-7-5-14(6-8-15)18(24)9-11-22(12-10-18)13-23-17-4-2-1-3-16(17)20-21-23/h1-8,24H,9-13H2.
What are the key properties of 1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol?
1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 342.83 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzotriazol-1-ylmethyl)-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 2809781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).