1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine

C12H18ClN3S — CID 66202987

IUPAC1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine
SMILESClc1ccc(CN2CC(N3CCNCC3)C2)s1
InChIInChI=1S/C12H18ClN3S/c13-12-2-1-11(17-12)9-15-7-10(8-15)16-5-3-14-4-6-16/h1-2,10,14H,3-9H2
InChIKeyJXLANMCFMKYYOR-UHFFFAOYSA-N
MW271.82 g/mol
LogP1.49
Rot. Bonds3

About 1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine

1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine (PubChem CID 66202987) has the molecular formula C12H18ClN3S and a molecular weight of 271.82 g/mol. Its IUPAC name is 1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine
PubChem CID66202987
Molecular FormulaC12H18ClN3S
Molecular Weight271.82 g/mol
Exact Mass271.09
IUPAC Name1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine
SMILESClc1ccc(CN2CC(N3CCNCC3)C2)s1
InChIInChI=1S/C12H18ClN3S/c13-12-2-1-11(17-12)9-15-7-10(8-15)16-5-3-14-4-6-16/h1-2,10,14H,3-9H2
InChIKeyJXLANMCFMKYYOR-UHFFFAOYSA-N
XLogP1.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.82
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]piperazine
CID 125118001
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine
CID 63861880
[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 51080740
1-[1-[(3-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 81154667
1-[1-[(2-chloro-4-fluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66195617
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
1-[(5-chlorothiophen-2-yl)methyl]piperidine-4-carbonitrile
CID 48940786
1-[1-[(2,5-dimethylthiophen-3-yl)methyl]azetidin-3-yl]piperazine
CID 66202420
1-[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120967450
2-[2-(5-chlorothiophen-2-yl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 106043649
N-[4-[(3-piperazin-1-ylazetidin-1-yl)methyl]phenyl]acetamide
CID 66203384
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 66194828

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine (CID 66202987) is 1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine is Clc1ccc(CN2CC(N3CCNCC3)C2)s1.
What is the InChIKey of 1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine?
The InChIKey is JXLANMCFMKYYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3S/c13-12-2-1-11(17-12)9-15-7-10(8-15)16-5-3-14-4-6-16/h1-2,10,14H,3-9H2.
What are the key properties of 1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine?
1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine has a molecular weight of 271.82 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine is sourced from PubChem (CID 66202987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).