N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide

C13H19N3O2 — CID 43132955

IUPACN-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESNCc1cccc(NC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C13H19N3O2/c14-9-10-2-1-3-11(8-10)15-13(18)16-6-4-12(17)5-7-16/h1-3,8,12,17H,4-7,9,14H2,(H,15,18)
InChIKeyZUZNWBGBYJDMJZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.13
Rot. Bonds2

About N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide

N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 43132955) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID43132955
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
SMILESNCc1cccc(NC(=O)N2CCC(O)CC2)c1
InChIInChI=1S/C13H19N3O2/c14-9-10-2-1-3-11(8-10)15-13(18)16-6-4-12(17)5-7-16/h1-3,8,12,17H,4-7,9,14H2,(H,15,18)
InChIKeyZUZNWBGBYJDMJZ-UHFFFAOYSA-N
XLogP1.13
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide (CID 43132955) is N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide is NCc1cccc(NC(=O)N2CCC(O)CC2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is ZUZNWBGBYJDMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-9-10-2-1-3-11(8-10)15-13(18)16-6-4-12(17)5-7-16/h1-3,8,12,17H,4-7,9,14H2,(H,15,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide?
N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 43132955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).