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

C14H21N3O — CID 43133019

IUPACN-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C14H21N3O/c1-11-6-8-17(9-7-11)14(18)16-13-4-2-12(10-15)3-5-13/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyUYTPZNLDKNPCEC-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds2

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

N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide (PubChem CID 43133019) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
PubChem CID43133019
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(CN)cc2)CC1
InChIInChI=1S/C14H21N3O/c1-11-6-8-17(9-7-11)14(18)16-13-4-2-12(10-15)3-5-13/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyUYTPZNLDKNPCEC-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[4-(aminomethyl)phenyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 61440098
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79160192
N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide
CID 106670528
N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
N-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]azepane-1-carboxamide
CID 119310690
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide (CID 43133019) is N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(CN)cc2)CC1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is UYTPZNLDKNPCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-6-8-17(9-7-11)14(18)16-13-4-2-12(10-15)3-5-13/h2-5,11H,6-10,15H2,1H3,(H,16,18).
What are the key properties of N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide?
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 43133019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).