1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride

C14H17Cl2N3S — CID 120846434

IUPAC1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.Clc1ccsc1CN1CCNCC1c1cccnc1
InChIInChI=1S/C14H16ClN3S.ClH/c15-12-3-7-19-14(12)10-18-6-5-17-9-13(18)11-2-1-4-16-8-11;/h1-4,7-8,13,17H,5-6,9-10H2;1H
InChIKeyTWRMSXQJNRFIQY-UHFFFAOYSA-N
MW330.28 g/mol
LogP3.36
Rot. Bonds3

About 1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride

1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120846434) has the molecular formula C14H17Cl2N3S and a molecular weight of 330.28 g/mol. Its IUPAC name is 1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120846434
Molecular FormulaC14H17Cl2N3S
Molecular Weight330.28 g/mol
Exact Mass329.05
IUPAC Name1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.Clc1ccsc1CN1CCNCC1c1cccnc1
InChIInChI=1S/C14H16ClN3S.ClH/c15-12-3-7-19-14(12)10-18-6-5-17-9-13(18)11-2-1-4-16-8-11;/h1-4,7-8,13,17H,5-6,9-10H2;1H
InChIKeyTWRMSXQJNRFIQY-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-bromothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120755708
1-[(4-fluorophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754578
2-pyridin-3-yl-1-(pyridin-4-ylmethyl)piperazine
CID 120768078
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]thiadiazole;hydrochloride
CID 120767683
1-[(5-bromothiophen-3-yl)methyl]-2-pyridin-3-ylpiperazine
CID 120754795
1-[(4-bromophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120755894
1-prop-2-enyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754736
1-[(2,6-dimethylphenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120754734
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120768234
1-[(2-bromophenyl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120755094

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride (CID 120846434) is 1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is Cl.Clc1ccsc1CN1CCNCC1c1cccnc1.
What is the InChIKey of 1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is TWRMSXQJNRFIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3S.ClH/c15-12-3-7-19-14(12)10-18-6-5-17-9-13(18)11-2-1-4-16-8-11;/h1-4,7-8,13,17H,5-6,9-10H2;1H.
What are the key properties of 1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride?
1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 330.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorothiophen-2-yl)methyl]-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120846434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).