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

C15H23N3O2 — CID 106836739

IUPACN-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2cccc(CN)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-11(19)13-5-7-18(8-6-13)15(20)17-14-4-2-3-12(9-14)10-16/h2-4,9,11,13,19H,5-8,10,16H2,1H3,(H,17,20)
InChIKeyPRVNUXMIRFXGIF-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.77
Rot. Bonds3

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

N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 106836739) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID106836739
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2cccc(CN)c2)CC1
InChIInChI=1S/C15H23N3O2/c1-11(19)13-5-7-18(8-6-13)15(20)17-14-4-2-3-12(9-14)10-16/h2-4,9,11,13,19H,5-8,10,16H2,1H3,(H,17,20)
InChIKeyPRVNUXMIRFXGIF-UHFFFAOYSA-N
XLogP1.77
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
4-(1-hydroxyethyl)-N-(3-phenoxyphenyl)piperidine-1-carboxamide
CID 111424875
4-(1-hydroxyethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-1-carboxamide
CID 111424931
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
CID 102961731
N-(3-cyclopentyloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424820
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 106836739) is N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)Nc2cccc(CN)c2)CC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is PRVNUXMIRFXGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(19)13-5-7-18(8-6-13)15(20)17-14-4-2-3-12(9-14)10-16/h2-4,9,11,13,19H,5-8,10,16H2,1H3,(H,17,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.77, 3 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-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 106836739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).