[1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

C14H25ClN2S — CID 119926209

IUPAC[1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCc1cc(CN2CCCC(C)C2CN)c(C)s1.Cl
InChIInChI=1S/C14H24N2S.ClH/c1-10-5-4-6-16(14(10)8-15)9-13-7-11(2)17-12(13)3;/h7,10,14H,4-6,8-9,15H2,1-3H3;1H
InChIKeySWVUHOQGUMJWRO-UHFFFAOYSA-N
MW288.89 g/mol
LogP3.35
Rot. Bonds3

About [1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

[1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 119926209) has the molecular formula C14H25ClN2S and a molecular weight of 288.89 g/mol. Its IUPAC name is [1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID119926209
Molecular FormulaC14H25ClN2S
Molecular Weight288.89 g/mol
Exact Mass288.14
IUPAC Name[1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCc1cc(CN2CCCC(C)C2CN)c(C)s1.Cl
InChIInChI=1S/C14H24N2S.ClH/c1-10-5-4-6-16(14(10)8-15)9-13-7-11(2)17-12(13)3;/h7,10,14H,4-6,8-9,15H2,1-3H3;1H
InChIKeySWVUHOQGUMJWRO-UHFFFAOYSA-N
XLogP3.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.89
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride (CID 119926209) is [1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride is Cc1cc(CN2CCCC(C)C2CN)c(C)s1.Cl.
What is the InChIKey of [1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is SWVUHOQGUMJWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S.ClH/c1-10-5-4-6-16(14(10)8-15)9-13-7-11(2)17-12(13)3;/h7,10,14H,4-6,8-9,15H2,1-3H3;1H.
What are the key properties of [1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
[1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 288.89 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119926209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).