1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine

C14H21ClN2 — CID 82481656

IUPAC1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine
SMILESCC(C)C(c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H21ClN2/c1-11(2)14(17-9-7-16-8-10-17)12-5-3-4-6-13(12)15/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyGTQWCBMONMAPET-UHFFFAOYSA-N
MW252.79 g/mol
LogP2.94
Rot. Bonds3

About 1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine

1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine (PubChem CID 82481656) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine
PubChem CID82481656
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine
SMILESCC(C)C(c1ccccc1Cl)N1CCNCC1
InChIInChI=1S/C14H21ClN2/c1-11(2)14(17-9-7-16-8-10-17)12-5-3-4-6-13(12)15/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyGTQWCBMONMAPET-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
CID 92754288
1-[(1R)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311166
1-[(1S)-1-(2-chlorophenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310400
1-[(1S)-1-(2,3-dichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171277279
1-[(1R)-1-(2-chlorophenyl)-2,2,2-trifluoroethyl]piperazine
CID 171180957
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310
1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171289935
1-[(1R)-1-(2-chlorophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171294072
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183556
2-chloro-6-[(1S)-2-methyl-1-piperazin-1-ylbutyl]phenol
CID 171305294
1-[(2-bromophenyl)-(2-chlorophenyl)methyl]-1,4-diazepane
CID 3773387
1-[(1S)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171292615

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine?
The IUPAC name of 1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine (CID 82481656) is 1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine?
The canonical SMILES for 1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine is CC(C)C(c1ccccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine?
The InChIKey is GTQWCBMONMAPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11(2)14(17-9-7-16-8-10-17)12-5-3-4-6-13(12)15/h3-6,11,14,16H,7-10H2,1-2H3.
What are the key properties of 1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine?
1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine has a molecular weight of 252.79 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-2-methylpropyl]piperazine is sourced from PubChem (CID 82481656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).