1-[2-(3-methylphenyl)propyl]piperazine

C14H22N2 — CID 82509212

IUPAC1-[2-(3-methylphenyl)propyl]piperazine
SMILESCc1cccc(C(C)CN2CCNCC2)c1
InChIInChI=1S/C14H22N2/c1-12-4-3-5-14(10-12)13(2)11-16-8-6-15-7-9-16/h3-5,10,13,15H,6-9,11H2,1-2H3
InChIKeyPAPWKTXJBSAWMI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.00
Rot. Bonds3

About 1-[2-(3-methylphenyl)propyl]piperazine

1-[2-(3-methylphenyl)propyl]piperazine (PubChem CID 82509212) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)propyl]piperazine
PubChem CID82509212
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[2-(3-methylphenyl)propyl]piperazine
SMILESCc1cccc(C(C)CN2CCNCC2)c1
InChIInChI=1S/C14H22N2/c1-12-4-3-5-14(10-12)13(2)11-16-8-6-15-7-9-16/h3-5,10,13,15H,6-9,11H2,1-2H3
InChIKeyPAPWKTXJBSAWMI-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
1-[2-(4-fluoro-3-methylphenyl)propyl]piperazine
CID 82291713
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
1-[2-(4-propan-2-ylphenyl)propyl]piperazine
CID 82295556
1-[(2R)-2-pyridin-3-ylpropyl]piperazine
CID 67593511
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
1-[2-(4-ethylphenyl)propyl]piperazine
CID 82289918
1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole
CID 116996220
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
2-[methyl-[1-(3-methylphenyl)ethyl]amino]-1-piperazin-1-ylethanone
CID 61310486
1-(2-naphthalen-1-ylpropyl)piperazine
CID 116964774

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)propyl]piperazine?
The IUPAC name of 1-[2-(3-methylphenyl)propyl]piperazine (CID 82509212) is 1-[2-(3-methylphenyl)propyl]piperazine.
What is the SMILES notation for 1-[2-(3-methylphenyl)propyl]piperazine?
The canonical SMILES for 1-[2-(3-methylphenyl)propyl]piperazine is Cc1cccc(C(C)CN2CCNCC2)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)propyl]piperazine?
The InChIKey is PAPWKTXJBSAWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-4-3-5-14(10-12)13(2)11-16-8-6-15-7-9-16/h3-5,10,13,15H,6-9,11H2,1-2H3.
What are the key properties of 1-[2-(3-methylphenyl)propyl]piperazine?
1-[2-(3-methylphenyl)propyl]piperazine has a molecular weight of 218.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)propyl]piperazine is sourced from PubChem (CID 82509212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).