1-[(1R)-1-(2-methylphenyl)propyl]piperazine

C14H22N2 — CID 92754595

IUPAC1-[(1R)-1-(2-methylphenyl)propyl]piperazine
SMILESCC[C@H](c1ccccc1C)N1CCNCC1
InChIInChI=1S/C14H22N2/c1-3-14(16-10-8-15-9-11-16)13-7-5-4-6-12(13)2/h4-7,14-15H,3,8-11H2,1-2H3/t14-/m1/s1
InChIKeyQNAWWVRSRBBMPA-CQSZACIVSA-N
MW218.34 g/mol
LogP2.35
Rot. Bonds3

About 1-[(1R)-1-(2-methylphenyl)propyl]piperazine

1-[(1R)-1-(2-methylphenyl)propyl]piperazine (PubChem CID 92754595) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-methylphenyl)propyl]piperazine
PubChem CID92754595
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[(1R)-1-(2-methylphenyl)propyl]piperazine
SMILESCC[C@H](c1ccccc1C)N1CCNCC1
InChIInChI=1S/C14H22N2/c1-3-14(16-10-8-15-9-11-16)13-7-5-4-6-12(13)2/h4-7,14-15H,3,8-11H2,1-2H3/t14-/m1/s1
InChIKeyQNAWWVRSRBBMPA-CQSZACIVSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2,3-dimethylphenyl)propyl]piperazine
CID 96660511
1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
CID 92754288
(3S)-3-(2-methylphenyl)-3-piperazin-1-ylpropanenitrile
CID 171306230
1-[(1S)-2-methyl-1-(2-methylphenyl)butyl]piperazine;dihydrochloride
CID 171305477
1-[(1R)-1-(2-ethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171288177
1-[(1S)-1-(2,3-difluorophenyl)propyl]piperazine
CID 171164114
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
2-chloro-6-[(1S)-1-piperazin-1-ylpropyl]phenol
CID 171277444
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
1-[1-[2-(trifluoromethyl)phenyl]propyl]-1,4-diazepane
CID 3580285
1-[(1S)-1-(2,3-dimethylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171181800

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-methylphenyl)propyl]piperazine (CID 92754595) is 1-[(1R)-1-(2-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-methylphenyl)propyl]piperazine is CC[C@H](c1ccccc1C)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-methylphenyl)propyl]piperazine?
The InChIKey is QNAWWVRSRBBMPA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-14(16-10-8-15-9-11-16)13-7-5-4-6-12(13)2/h4-7,14-15H,3,8-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-methylphenyl)propyl]piperazine?
1-[(1R)-1-(2-methylphenyl)propyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methylphenyl)propyl]piperazine is sourced from PubChem (CID 92754595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).