1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine

C19H19ClN2S — CID 5238148

IUPAC1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
SMILESClc1ccc(C(c2cccc3ccccc23)N2CCNCC2)s1
InChIInChI=1S/C19H19ClN2S/c20-18-9-8-17(23-18)19(22-12-10-21-11-13-22)16-7-3-5-14-4-1-2-6-15(14)16/h1-9,19,21H,10-13H2
InChIKeyTUBFZQWIOALDPW-UHFFFAOYSA-N
MW342.90 g/mol
LogP4.55
Rot. Bonds3

About 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine

1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine (PubChem CID 5238148) has the molecular formula C19H19ClN2S and a molecular weight of 342.90 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
PubChem CID5238148
Molecular FormulaC19H19ClN2S
Molecular Weight342.90 g/mol
Exact Mass342.10
IUPAC Name1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
SMILESClc1ccc(C(c2cccc3ccccc23)N2CCNCC2)s1
InChIInChI=1S/C19H19ClN2S/c20-18-9-8-17(23-18)19(22-12-10-21-11-13-22)16-7-3-5-14-4-1-2-6-15(14)16/h1-9,19,21H,10-13H2
InChIKeyTUBFZQWIOALDPW-UHFFFAOYSA-N
XLogP4.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-methylthiophen-2-yl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3765993
1-[(R)-(3-bromo-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine
CID 171179154
1-[(R)-(5-chlorothiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171180714
1-[(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]piperazine
CID 92754745
1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5112017
1-[(R)-(5-chlorothiophen-2-yl)-(2-fluoro-3-methoxyphenyl)methyl]piperazine
CID 171179683
1-[(5-chlorothiophen-2-yl)-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 4693826
1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine
CID 171179320
1-[(S)-(4-chloro-2-fluorophenyl)-(5-chlorothiophen-2-yl)methyl]piperazine;hydrochloride
CID 171175713
1-[(R)-(5-chlorothiophen-2-yl)-(4-fluorophenyl)methyl]piperazine
CID 171178470
1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine
CID 5023277
1-[(R)-(5-chlorothiophen-2-yl)-(2,5-difluorophenyl)methyl]piperazine;hydrochloride
CID 171179321

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine (CID 5238148) is 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine is Clc1ccc(C(c2cccc3ccccc23)N2CCNCC2)s1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine?
The InChIKey is TUBFZQWIOALDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2S/c20-18-9-8-17(23-18)19(22-12-10-21-11-13-22)16-7-3-5-14-4-1-2-6-15(14)16/h1-9,19,21H,10-13H2.
What are the key properties of 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine?
1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine has a molecular weight of 342.90 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine is sourced from PubChem (CID 5238148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).