1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol

C12H17ClN2O — CID 28965232

IUPAC1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol
SMILESNCc1c(Cl)cccc1N1CCC(O)CC1
InChIInChI=1S/C12H17ClN2O/c13-11-2-1-3-12(10(11)8-14)15-6-4-9(16)5-7-15/h1-3,9,16H,4-8,14H2
InChIKeyKIAKOZFUHCNAAW-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.76
Rot. Bonds2

About 1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol

1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol (PubChem CID 28965232) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol
PubChem CID28965232
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol
SMILESNCc1c(Cl)cccc1N1CCC(O)CC1
InChIInChI=1S/C12H17ClN2O/c13-11-2-1-3-12(10(11)8-14)15-6-4-9(16)5-7-15/h1-3,9,16H,4-8,14H2
InChIKeyKIAKOZFUHCNAAW-UHFFFAOYSA-N
XLogP1.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol?
The IUPAC name of 1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol (CID 28965232) is 1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol is NCc1c(Cl)cccc1N1CCC(O)CC1.
What is the InChIKey of 1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol?
The InChIKey is KIAKOZFUHCNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-2-1-3-12(10(11)8-14)15-6-4-9(16)5-7-15/h1-3,9,16H,4-8,14H2.
What are the key properties of 1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol?
1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol has a molecular weight of 240.73 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-chlorophenyl]piperidin-4-ol is sourced from PubChem (CID 28965232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).