N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide

C16H25N3O2 — CID 43590166

IUPACN-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(CN)cc1)N1CCCC(CO)C1
InChIInChI=1S/C16H25N3O2/c1-12(19-8-2-3-14(10-19)11-20)16(21)18-15-6-4-13(9-17)5-7-15/h4-7,12,14,20H,2-3,8-11,17H2,1H3,(H,18,21)
InChIKeyHVMUJUSOUBYEBC-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.18
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide

N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide (PubChem CID 43590166) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
PubChem CID43590166
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(CN)cc1)N1CCCC(CO)C1
InChIInChI=1S/C16H25N3O2/c1-12(19-8-2-3-14(10-19)11-20)16(21)18-15-6-4-13(9-17)5-7-15/h4-7,12,14,20H,2-3,8-11,17H2,1H3,(H,18,21)
InChIKeyHVMUJUSOUBYEBC-UHFFFAOYSA-N
XLogP1.18
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)phenyl]-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114797242
N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372637
N-(3-chloro-2-methylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880139
N-[4-(aminomethyl)phenyl]-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562386
N-(2,5-dimethylphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880134
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
3-[1-[1-(4-chloroanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101314
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
CID 98761137
N-[2-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110880153
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
(2R)-2-[(3S)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 98794961

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide (CID 43590166) is N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccc(CN)cc1)N1CCCC(CO)C1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
The InChIKey is HVMUJUSOUBYEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(19-8-2-3-14(10-19)11-20)16(21)18-15-6-4-13(9-17)5-7-15/h4-7,12,14,20H,2-3,8-11,17H2,1H3,(H,18,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide?
N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 43590166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).