1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine

C16H23ClN2 — CID 171289842

IUPAC1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine
SMILESCc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C16H23ClN2/c1-12-2-5-14(11-15(12)17)16(10-13-3-4-13)19-8-6-18-7-9-19/h2,5,11,13,16,18H,3-4,6-10H2,1H3/t16-/m1/s1
InChIKeyDKUAZFYTRZOOGV-MRXNPFEDSA-N
MW278.83 g/mol
LogP3.39
Rot. Bonds4

About 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine

1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine (PubChem CID 171289842) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine
PubChem CID171289842
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine
SMILESCc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1Cl
InChIInChI=1S/C16H23ClN2/c1-12-2-5-14(11-15(12)17)16(10-13-3-4-13)19-8-6-18-7-9-19/h2,5,11,13,16,18H,3-4,6-10H2,1H3/t16-/m1/s1
InChIKeyDKUAZFYTRZOOGV-MRXNPFEDSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-fluoroethyl]piperazine;hydrochloride
CID 171182495
1-[(1S)-1-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171279186
1-[(1S)-1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]piperazine;hydrochloride
CID 171164324
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
1-[(1S)-1-(6-chloro-3-pyridinyl)-2-cyclopropylethyl]piperazine
CID 171276536
1-[(1R)-1-(3-chloro-4-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307770
1-[(1S)-1-(4-tert-butylphenyl)-2-cyclopropylethyl]piperazine
CID 171275301
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1R)-1-(1,3-benzodioxol-5-yl)-2-cyclopropylethyl]piperazine
CID 171297111

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine (CID 171289842) is 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine is Cc1ccc([C@@H](CC2CC2)N2CCNCC2)cc1Cl.
What is the InChIKey of 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine?
The InChIKey is DKUAZFYTRZOOGV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-12-2-5-14(11-15(12)17)16(10-13-3-4-13)19-8-6-18-7-9-19/h2,5,11,13,16,18H,3-4,6-10H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine?
1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine has a molecular weight of 278.83 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-4-methylphenyl)-2-cyclopropylethyl]piperazine is sourced from PubChem (CID 171289842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).