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

C15H23N3O2 — CID 43246107

IUPACN-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESNCc1ccc(NC(=O)CN2CCC(CO)CC2)cc1
InChIInChI=1S/C15H23N3O2/c16-9-12-1-3-14(4-2-12)17-15(20)10-18-7-5-13(11-19)6-8-18/h1-4,13,19H,5-11,16H2,(H,17,20)
InChIKeySSONAZOWPVITEL-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.79
Rot. Bonds5

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

N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (PubChem CID 43246107) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
PubChem CID43246107
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
SMILESNCc1ccc(NC(=O)CN2CCC(CO)CC2)cc1
InChIInChI=1S/C15H23N3O2/c16-9-12-1-3-14(4-2-12)17-15(20)10-18-7-5-13(11-19)6-8-18/h1-4,13,19H,5-11,16H2,(H,17,20)
InChIKeySSONAZOWPVITEL-UHFFFAOYSA-N
XLogP0.79
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-[4-(cyanomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 62020265
N-[4-(aminomethyl)phenyl]-2-(4-propan-2-ylpiperidin-1-yl)acetamide
CID 103494265
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 47284409
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 62372251
N-[4-(aminomethyl)phenyl]-2-(4,4-dimethylazepan-1-yl)acetamide
CID 65283923
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515
2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 68550086

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide (CID 43246107) is N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide is NCc1ccc(NC(=O)CN2CCC(CO)CC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
The InChIKey is SSONAZOWPVITEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c16-9-12-1-3-14(4-2-12)17-15(20)10-18-7-5-13(11-19)6-8-18/h1-4,13,19H,5-11,16H2,(H,17,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide?
N-[4-(aminomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.79, 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-[4-(hydroxymethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 43246107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).