1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride

C14H19Cl2N3S — CID 171287163

IUPAC1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc([C@@H](c2cccs2)N2CCNCC2)nc1
InChIInChI=1S/C14H17N3S.2ClH/c1-2-6-16-12(4-1)14(13-5-3-11-18-13)17-9-7-15-8-10-17;;/h1-6,11,14-15H,7-10H2;2*1H/t14-;;/m0../s1
InChIKeyYBFQPPMSMYIABE-UTLKBRERSA-N
MW332.30 g/mol
LogP2.98
Rot. Bonds3

About 1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride

1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride (PubChem CID 171287163) has the molecular formula C14H19Cl2N3S and a molecular weight of 332.30 g/mol. Its IUPAC name is 1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride
PubChem CID171287163
Molecular FormulaC14H19Cl2N3S
Molecular Weight332.30 g/mol
Exact Mass331.07
IUPAC Name1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc([C@@H](c2cccs2)N2CCNCC2)nc1
InChIInChI=1S/C14H17N3S.2ClH/c1-2-6-16-12(4-1)14(13-5-3-11-18-13)17-9-7-15-8-10-17;;/h1-6,11,14-15H,7-10H2;2*1H/t14-;;/m0../s1
InChIKeyYBFQPPMSMYIABE-UTLKBRERSA-N
XLogP2.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(6-bromo-2-pyridinyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171289046
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]pyridin-2-amine
CID 171293849
2-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171287287
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
CID 5017511
1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine
CID 5023277
1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
CID 171287156
1-[(5-ethyl-2-pyridinyl)-thiophen-2-ylmethyl]-1,4-diazepane
CID 3808021
1-[(S)-(3-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281047
1-[(R)-thiophen-2-yl(thiophen-3-yl)methyl]piperazine;dihydrochloride
CID 171280742
1-[(R)-(4-phenylphenyl)-thiophen-2-ylmethyl]piperazine
CID 171279536
1-[(R)-(4-chlorophenyl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281575
1-[(2-methylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 5106735

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride (CID 171287163) is 1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride is Cl.Cl.c1ccc([C@@H](c2cccs2)N2CCNCC2)nc1.
What is the InChIKey of 1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride?
The InChIKey is YBFQPPMSMYIABE-UTLKBRERSA-N. The full InChI is InChI=1S/C14H17N3S.2ClH/c1-2-6-16-12(4-1)14(13-5-3-11-18-13)17-9-7-15-8-10-17;;/h1-6,11,14-15H,7-10H2;2*1H/t14-;;/m0../s1.
What are the key properties of 1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride?
1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride has a molecular weight of 332.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171287163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).