3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C19H32ClN3O — CID 120981536

IUPAC3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(C)(C)CN(CCC(=O)N1CCNCC1)Cc1ccccc1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-19(2,3)16-21(15-17-7-5-4-6-8-17)12-9-18(23)22-13-10-20-11-14-22;/h4-8,20H,9-16H2,1-3H3;1H
InChIKeyQTUCSSNSWCRDTK-UHFFFAOYSA-N
MW353.94 g/mol
LogP2.78
Rot. Bonds6

About 3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981536) has the molecular formula C19H32ClN3O and a molecular weight of 353.94 g/mol. Its IUPAC name is 3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981536
Molecular FormulaC19H32ClN3O
Molecular Weight353.94 g/mol
Exact Mass353.22
IUPAC Name3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCC(C)(C)CN(CCC(=O)N1CCNCC1)Cc1ccccc1.Cl
InChIInChI=1S/C19H31N3O.ClH/c1-19(2,3)16-21(15-17-7-5-4-6-8-17)12-9-18(23)22-13-10-20-11-14-22;/h4-8,20H,9-16H2,1-3H3;1H
InChIKeyQTUCSSNSWCRDTK-UHFFFAOYSA-N
XLogP2.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.94
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
3-[2-methylpropyl(2-phenylethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980972
4-[benzyl(2,2-dimethylpropyl)amino]butanoic acid
CID 119135308
N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
3-[2-phenylethyl(prop-2-enyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981237
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017462
3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981774
3-[(3-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980775

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981536) is 3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CC(C)(C)CN(CCC(=O)N1CCNCC1)Cc1ccccc1.Cl.
What is the InChIKey of 3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is QTUCSSNSWCRDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O.ClH/c1-19(2,3)16-21(15-17-7-5-4-6-8-17)12-9-18(23)22-13-10-20-11-14-22;/h4-8,20H,9-16H2,1-3H3;1H.
What are the key properties of 3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 353.94 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).