N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide

C16H25N3O2 — CID 81095450

IUPACN-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(CN)c1)N1CCC(C)(O)CC1
InChIInChI=1S/C16H25N3O2/c1-12(19-8-6-16(2,21)7-9-19)15(20)18-14-5-3-4-13(10-14)11-17/h3-5,10,12,21H,6-9,11,17H2,1-2H3,(H,18,20)
InChIKeyUCIMHJIYUPBRTR-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.32
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide

N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide (PubChem CID 81095450) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
PubChem CID81095450
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(CN)c1)N1CCC(C)(O)CC1
InChIInChI=1S/C16H25N3O2/c1-12(19-8-6-16(2,21)7-9-19)15(20)18-14-5-3-4-13(10-14)11-17/h3-5,10,12,21H,6-9,11,17H2,1-2H3,(H,18,20)
InChIKeyUCIMHJIYUPBRTR-UHFFFAOYSA-N
XLogP1.32
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
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N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
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2-(4-hydroxy-4-methylpiperidin-1-yl)-N-phenylpropanamide
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N-[3-(aminomethyl)phenyl]-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668137
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81098789
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[3-(aminomethyl)phenyl]-2-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 61226146
N-[4-(aminomethyl)phenyl]-2-(4-ethylpiperazin-1-yl)propanamide
CID 16789447
N-[3-(aminomethyl)phenyl]-2-butan-2-ylsulfinylpropanamide
CID 81328323
N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
CID 43270105

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide (CID 81095450) is N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide is CC(C(=O)Nc1cccc(CN)c1)N1CCC(C)(O)CC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The InChIKey is UCIMHJIYUPBRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(19-8-6-16(2,21)7-9-19)15(20)18-14-5-3-4-13(10-14)11-17/h3-5,10,12,21H,6-9,11,17H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 81095450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).