2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride

C13H22Cl2N2S — CID 120843473

IUPAC2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(Cc2cc(Cl)cs2)CC1.Cl
InChIInChI=1S/C13H21ClN2S.ClH/c1-15-5-2-11-3-6-16(7-4-11)9-13-8-12(14)10-17-13;/h8,10-11,15H,2-7,9H2,1H3;1H
InChIKeyFGXDPDYLGIBINP-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.64
Rot. Bonds5

About 2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride

2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride (PubChem CID 120843473) has the molecular formula C13H22Cl2N2S and a molecular weight of 309.31 g/mol. Its IUPAC name is 2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
PubChem CID120843473
Molecular FormulaC13H22Cl2N2S
Molecular Weight309.31 g/mol
Exact Mass308.09
IUPAC Name2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
SMILESCNCCC1CCN(Cc2cc(Cl)cs2)CC1.Cl
InChIInChI=1S/C13H21ClN2S.ClH/c1-15-5-2-11-3-6-16(7-4-11)9-13-8-12(14)10-17-13;/h8,10-11,15H,2-7,9H2,1H3;1H
InChIKeyFGXDPDYLGIBINP-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine
CID 80606353
2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843537
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
CID 120840724
methyl (2S)-2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetate
CID 129403207
1-[1-[(4-bromothiophen-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119922124
1-[4-[(4-chlorothiophen-2-yl)methyl]piperazin-1-yl]ethanone
CID 163356375
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120840158
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine
CID 79426860
2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104869888
2-[1-[2-(3-chlorophenyl)propyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843488
3-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79733104
N-methyl-2-[1-[(2-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120843546

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride (CID 120843473) is 2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride is CNCCC1CCN(Cc2cc(Cl)cs2)CC1.Cl.
What is the InChIKey of 2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
The InChIKey is FGXDPDYLGIBINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S.ClH/c1-15-5-2-11-3-6-16(7-4-11)9-13-8-12(14)10-17-13;/h8,10-11,15H,2-7,9H2,1H3;1H.
What are the key properties of 2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride?
2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride has a molecular weight of 309.31 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120843473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).