(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride

C16H25ClN2O2 — CID 119471460

IUPAC(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
SMILESCC(C)COc1cccc(C(=O)N2CCNCC2C)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)11-20-15-6-4-5-14(9-15)16(19)18-8-7-17-10-13(18)3;/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3;1H
InChIKeyKXUDQRYDFGKKIX-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.58
Rot. Bonds4

About (2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride

(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride (PubChem CID 119471460) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
PubChem CID119471460
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride
SMILESCC(C)COc1cccc(C(=O)N2CCNCC2C)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(2)11-20-15-6-4-5-14(9-15)16(19)18-8-7-17-10-13(18)3;/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3;1H
InChIKeyKXUDQRYDFGKKIX-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 51000391
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
[(2S)-2-methylpiperazin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124571660
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
(2-methylpiperazin-1-yl)-(3-pyrazin-2-yloxyphenyl)methanone
CID 119471763
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
sodium 3-[(2R)-2-methylpiperazine-1-carbonyl]benzoate
CID 126837861
(2-methylpiperazin-1-yl)-(4-phenoxyphenyl)methanone;hydrochloride
CID 119470393
(3,4-dipropoxyphenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472994
4-[3-(2-methylpropoxy)benzoyl]piperazin-2-one
CID 60645920
[(2R)-2-methylpiperazin-1-yl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methanone
CID 170503220
[(2R)-2-methylpiperazin-1-yl]-quinolin-6-ylmethanone
CID 82705265

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride (CID 119471460) is (2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride is CC(C)COc1cccc(C(=O)N2CCNCC2C)c1.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride?
The InChIKey is KXUDQRYDFGKKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(2)11-20-15-6-4-5-14(9-15)16(19)18-8-7-17-10-13(18)3;/h4-6,9,12-13,17H,7-8,10-11H2,1-3H3;1H.
What are the key properties of (2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride?
(2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-[3-(2-methylpropoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 119471460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).