[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride

C11H17Cl3N2S — CID 120836829

IUPAC[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(Cc2csc(Cl)c2Cl)C1
InChIInChI=1S/C11H16Cl2N2S.ClH/c12-10-9(7-16-11(10)13)6-15-3-1-2-8(4-14)5-15;/h7-8H,1-6,14H2;1H
InChIKeyUOVZBUMFNSVUAR-UHFFFAOYSA-N
MW315.70 g/mol
LogP3.65
Rot. Bonds3

About [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride

[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 120836829) has the molecular formula C11H17Cl3N2S and a molecular weight of 315.70 g/mol. Its IUPAC name is [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID120836829
Molecular FormulaC11H17Cl3N2S
Molecular Weight315.70 g/mol
Exact Mass314.02
IUPAC Name[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(Cc2csc(Cl)c2Cl)C1
InChIInChI=1S/C11H16Cl2N2S.ClH/c12-10-9(7-16-11(10)13)6-15-3-1-2-8(4-14)5-15;/h7-8H,1-6,14H2;1H
InChIKeyUOVZBUMFNSVUAR-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846304
1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 120837575
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 120838588
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838225
(3S)-1-[(4,5-dichlorothiophen-3-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845881
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915654
[1-[(4,6-dichloro-3-pyridinyl)methyl]piperidin-3-yl]methanamine
CID 116519780
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906
1-[(4,5-dichlorothiophen-3-yl)methyl]-1,4-diazepane;hydrochloride
CID 120834380

Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride (CID 120836829) is [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(Cc2csc(Cl)c2Cl)C1.
What is the InChIKey of [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is UOVZBUMFNSVUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2S.ClH/c12-10-9(7-16-11(10)13)6-15-3-1-2-8(4-14)5-15;/h7-8H,1-6,14H2;1H.
What are the key properties of [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 315.70 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120836829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).