1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine

C16H19ClN2S — CID 5002630

IUPAC1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccsc1C(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C16H19ClN2S/c1-12-6-11-20-16(12)15(19-9-7-18-8-10-19)13-2-4-14(17)5-3-13/h2-6,11,15,18H,7-10H2,1H3
InChIKeyYIMPGALGSUOUAN-UHFFFAOYSA-N
MW306.86 g/mol
LogP3.70
Rot. Bonds3

About 1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine

1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine (PubChem CID 5002630) has the molecular formula C16H19ClN2S and a molecular weight of 306.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine
PubChem CID5002630
Molecular FormulaC16H19ClN2S
Molecular Weight306.86 g/mol
Exact Mass306.10
IUPAC Name1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine
SMILESCc1ccsc1C(c1ccc(Cl)cc1)N1CCNCC1
InChIInChI=1S/C16H19ClN2S/c1-12-6-11-20-16(12)15(19-9-7-18-8-10-19)13-2-4-14(17)5-3-13/h2-6,11,15,18H,7-10H2,1H3
InChIKeyYIMPGALGSUOUAN-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1,4-diazepan-1-yl-(3-methylthiophen-2-yl)methyl]-N,N-dimethylaniline
CID 3844654
1-[(3-methylthiophen-2-yl)-[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3718190
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 5096887
1-[(4-chlorophenyl)-(2,5-dimethylphenyl)methyl]piperazine
CID 4312226
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;dihydrochloride
CID 24745687
1-[(1S)-1-(3-methylthiophen-2-yl)propyl]piperazine;dihydrochloride
CID 171276189
1-[(1R)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171288817
1-[(1S)-2,2,2-trifluoro-1-(3-methylthiophen-2-yl)ethyl]piperazine;dihydrochloride
CID 171276192
1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171276198
1-[(4-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]piperazine
CID 4738663
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;1-[(R)-(4-chlorophenyl)-phenylmethyl]piperidine;methane
CID 160506934

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine (CID 5002630) is 1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine is Cc1ccsc1C(c1ccc(Cl)cc1)N1CCNCC1.
What is the InChIKey of 1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine?
The InChIKey is YIMPGALGSUOUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2S/c1-12-6-11-20-16(12)15(19-9-7-18-8-10-19)13-2-4-14(17)5-3-13/h2-6,11,15,18H,7-10H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine?
1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine has a molecular weight of 306.86 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]piperazine is sourced from PubChem (CID 5002630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).