N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide

C14H22N4O2 — CID 43592283

IUPACN-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESNCc1ccc(NC(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H22N4O2/c15-11-12-1-3-13(4-2-12)16-14(20)18-7-5-17(6-8-18)9-10-19/h1-4,19H,5-11,15H2,(H,16,20)
InChIKeyNDWKQTNSBBBAAZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.29
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide

N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 43592283) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID43592283
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESNCc1ccc(NC(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H22N4O2/c15-11-12-1-3-13(4-2-12)16-14(20)18-7-5-17(6-8-18)9-10-19/h1-4,19H,5-11,15H2,(H,16,20)
InChIKeyNDWKQTNSBBBAAZ-UHFFFAOYSA-N
XLogP0.29
TPSA81.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
CID 61202930
4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
CID 108869241
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108895469
N-[4-(aminomethyl)phenyl]-3,4-dihydroxypyrrolidine-1-carboxamide
CID 106670528
N-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]azepane-1-carboxamide
CID 119310690
N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 61340159
4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide
CID 71916532
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600
4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894759
4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
CID 108875241

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide (CID 43592283) is N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide is NCc1ccc(NC(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is NDWKQTNSBBBAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c15-11-12-1-3-13(4-2-12)16-14(20)18-7-5-17(6-8-18)9-10-19/h1-4,19H,5-11,15H2,(H,16,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide?
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 43592283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).