1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine

C23H31ClN2 — CID 70919328

IUPAC1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine
SMILESCCCc1ccc(C(C)C)cc1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H31ClN2/c1-4-5-19-6-7-20(18(2)3)16-21(19)17-25-12-14-26(15-13-25)23-10-8-22(24)9-11-23/h6-11,16,18H,4-5,12-15,17H2,1-3H3
InChIKeyPLLVLNLSAWKBGE-UHFFFAOYSA-N
MW370.97 g/mol
LogP5.74
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine

1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine (PubChem CID 70919328) has the molecular formula C23H31ClN2 and a molecular weight of 370.97 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine
PubChem CID70919328
Molecular FormulaC23H31ClN2
Molecular Weight370.97 g/mol
Exact Mass370.22
IUPAC Name1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine
SMILESCCCc1ccc(C(C)C)cc1CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H31ClN2/c1-4-5-19-6-7-20(18(2)3)16-21(19)17-25-12-14-26(15-13-25)23-10-8-22(24)9-11-23/h6-11,16,18H,4-5,12-15,17H2,1-3H3
InChIKeyPLLVLNLSAWKBGE-UHFFFAOYSA-N
XLogP5.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.97
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123478662
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1-ethyl-4-[(2-fluoro-4-propan-2-ylphenyl)methyl]piperazine
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1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
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1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
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CID 158500114
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
4-[(2-chloro-4-propan-2-ylphenyl)methyl]morpholine;ethane
CID 143579646
1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
1-(4-chlorophenyl)-4-[(2-methoxyphenyl)methyl]piperazine
CID 750588
1-methyl-4-[(2-methyl-4-propan-2-ylphenyl)methyl]piperazine
CID 153025858
2,4-ditert-butyl-6-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2845524

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine (CID 70919328) is 1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine is CCCc1ccc(C(C)C)cc1CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine?
The InChIKey is PLLVLNLSAWKBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2/c1-4-5-19-6-7-20(18(2)3)16-21(19)17-25-12-14-26(15-13-25)23-10-8-22(24)9-11-23/h6-11,16,18H,4-5,12-15,17H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine?
1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine has a molecular weight of 370.97 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[(5-propan-2-yl-2-propylphenyl)methyl]piperazine is sourced from PubChem (CID 70919328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).