1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine

C20H25ClN2 — CID 118119340

IUPAC1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN2/c1-16(2)22-12-14-23(15-13-22)20(17-6-4-3-5-7-17)18-8-10-19(21)11-9-18/h3-11,16,20H,12-15H2,1-2H3/t20-/m0/s1
InChIKeyRTXXCQYHAHFPSO-FQEVSTJZSA-N
MW328.89 g/mol
LogP4.46
Rot. Bonds4

About 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine

1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine (PubChem CID 118119340) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
PubChem CID118119340
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC Name1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H25ClN2/c1-16(2)22-12-14-23(15-13-22)20(17-6-4-3-5-7-17)18-8-10-19(21)11-9-18/h3-11,16,20H,12-15H2,1-2H3/t20-/m0/s1
InChIKeyRTXXCQYHAHFPSO-FQEVSTJZSA-N
XLogP4.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
4-[(4-chlorophenyl)-phenylmethyl]-1-methyl-1-propan-2-ylpiperazin-1-ium iodide
CID 3030300
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-(2-chloroethyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
CID 19922955
1-[(4-chlorophenyl)-phenylmethyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
CID 44523966
1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride
CID 3065514
2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethanethiol
CID 123286407
3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propan-1-amine
CID 174296137
1-[(4-chlorophenyl)-phenylmethyl]-4-[(4-methylphenyl)methyl]piperazine;dihydrochloride
CID 171382098
(E)-4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]but-2-en-1-ol
CID 66918222

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine (CID 118119340) is 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine is CC(C)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine?
The InChIKey is RTXXCQYHAHFPSO-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25ClN2/c1-16(2)22-12-14-23(15-13-22)20(17-6-4-3-5-7-17)18-8-10-19(21)11-9-18/h3-11,16,20H,12-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine?
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine has a molecular weight of 328.89 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 118119340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).