1-[(1S)-1-(3-methylphenyl)ethyl]piperazine

C13H20N2 — CID 92754613

IUPAC1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
SMILESCc1cccc([C@H](C)N2CCNCC2)c1
InChIInChI=1S/C13H20N2/c1-11-4-3-5-13(10-11)12(2)15-8-6-14-7-9-15/h3-5,10,12,14H,6-9H2,1-2H3/t12-/m0/s1
InChIKeyDDVWVAFXNDQGNZ-LBPRGKRZSA-N
MW204.32 g/mol
LogP1.96
Rot. Bonds2

About 1-[(1S)-1-(3-methylphenyl)ethyl]piperazine

1-[(1S)-1-(3-methylphenyl)ethyl]piperazine (PubChem CID 92754613) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[(1S)-1-(3-methylphenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
PubChem CID92754613
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
SMILESCc1cccc([C@H](C)N2CCNCC2)c1
InChIInChI=1S/C13H20N2/c1-11-4-3-5-13(10-11)12(2)15-8-6-14-7-9-15/h3-5,10,12,14H,6-9H2,1-2H3/t12-/m0/s1
InChIKeyDDVWVAFXNDQGNZ-LBPRGKRZSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
CID 57383523
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
1-[2-(3-methylphenyl)propyl]piperazine
CID 82509212
(3R)-3-(3-methylphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189206
1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
CID 93464479
1-[(1R)-3-fluoro-1-(3-methylphenyl)propyl]piperazine
CID 171171813
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(1S)-3,3,3-trifluoro-1-(3-methylphenyl)propyl]piperazine
CID 171166539
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(3-methylphenyl)ethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(3-methylphenyl)ethyl]piperazine (CID 92754613) is 1-[(1S)-1-(3-methylphenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(3-methylphenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(3-methylphenyl)ethyl]piperazine is Cc1cccc([C@H](C)N2CCNCC2)c1.
What is the InChIKey of 1-[(1S)-1-(3-methylphenyl)ethyl]piperazine?
The InChIKey is DDVWVAFXNDQGNZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-4-3-5-13(10-11)12(2)15-8-6-14-7-9-15/h3-5,10,12,14H,6-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(1S)-1-(3-methylphenyl)ethyl]piperazine?
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine has a molecular weight of 204.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(3-methylphenyl)ethyl]piperazine is sourced from PubChem (CID 92754613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).