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

C14H21N3O2 — CID 81116359

IUPACN-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC1(O)CCN(C(=O)Nc2cccc(CN)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-14(19)5-7-17(8-6-14)13(18)16-12-4-2-3-11(9-12)10-15/h2-4,9,19H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyAIFUOBJPLMFDQN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.52
Rot. Bonds2

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

N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide (PubChem CID 81116359) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
PubChem CID81116359
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC1(O)CCN(C(=O)Nc2cccc(CN)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-14(19)5-7-17(8-6-14)13(18)16-12-4-2-3-11(9-12)10-15/h2-4,9,19H,5-8,10,15H2,1H3,(H,16,18)
InChIKeyAIFUOBJPLMFDQN-UHFFFAOYSA-N
XLogP1.52
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81095450
N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
N-(3-aminophenyl)-4,4-dimethylpiperidine-1-carboxamide
CID 55156325
N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 74236074
N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
3-hydroxy-3-methyl-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 103727847
N-[4-[[3-(aminomethyl)phenyl]carbamoyl]phenyl]piperazine-1-carboxamide
CID 174909845
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
CID 102961731

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide (CID 81116359) is N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide is CC1(O)CCN(C(=O)Nc2cccc(CN)c2)CC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The InChIKey is AIFUOBJPLMFDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(19)5-7-17(8-6-14)13(18)16-12-4-2-3-11(9-12)10-15/h2-4,9,19H,5-8,10,15H2,1H3,(H,16,18).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.52, 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-hydroxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 81116359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).