1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine

C20H23ClN2 — CID 101080299

IUPAC1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine
SMILESCc1cc(Cl)ccc1N1CCN([C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C20H23ClN2/c1-15-13-17(21)7-8-19(15)22-9-11-23(12-10-22)20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14H2,1H3/t18-,20+/m1/s1
InChIKeyMFVREYHGJFEUHY-QUCCMNQESA-N
MW326.87 g/mol
LogP4.33
Rot. Bonds3

About 1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine

1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine (PubChem CID 101080299) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine
PubChem CID101080299
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine
SMILESCc1cc(Cl)ccc1N1CCN([C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C20H23ClN2/c1-15-13-17(21)7-8-19(15)22-9-11-23(12-10-22)20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14H2,1H3/t18-,20+/m1/s1
InChIKeyMFVREYHGJFEUHY-QUCCMNQESA-N
XLogP4.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)-4-[(1S,2S)-2-phenylcyclopropyl]piperazine
CID 101080306
1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine
CID 101080302
1-(4-chloro-2-methylphenyl)-4-methylsulfonylpiperazine
CID 110357995
2-(4-chloro-2-methylphenyl)-1,3-dihydroisoindole
CID 954409
2-[1-(4-chloro-2-methylphenyl)piperidin-4-yl]ethanamine
CID 82298380
1-(2,4-dimethylphenyl)-1-methyl-4-[(1S,2S)-2-phenylcyclopropyl]piperazin-1-ium
CID 57259132
1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
CID 10615990
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 143462130
1-(4-chloro-2-methylphenyl)-4-methyl-1,5-diazocane
CID 117014587
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;1-phenylpiperazine
CID 143462133
5-chloro-2-(4-phenylpiperazin-1-yl)benzaldehyde
CID 114843841

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine (CID 101080299) is 1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine is Cc1cc(Cl)ccc1N1CCN([C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine?
The InChIKey is MFVREYHGJFEUHY-QUCCMNQESA-N. The full InChI is InChI=1S/C20H23ClN2/c1-15-13-17(21)7-8-19(15)22-9-11-23(12-10-22)20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14H2,1H3/t18-,20+/m1/s1.
What are the key properties of 1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine?
1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine has a molecular weight of 326.87 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-4-[(1S,2R)-2-phenylcyclopropyl]piperazine is sourced from PubChem (CID 101080299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).