1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride

C11H18Cl2N2S — CID 120840724

IUPAC1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(Cc2cc(Cl)cs2)CCC1N.Cl
InChIInChI=1S/C11H17ClN2S.ClH/c1-8-5-14(3-2-11(8)13)6-10-4-9(12)7-15-10;/h4,7-8,11H,2-3,5-6,13H2,1H3;1H
InChIKeyKWZPBFMSKKVCFP-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.99
Rot. Bonds2

About 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride

1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 120840724) has the molecular formula C11H18Cl2N2S and a molecular weight of 281.25 g/mol. Its IUPAC name is 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
PubChem CID120840724
Molecular FormulaC11H18Cl2N2S
Molecular Weight281.25 g/mol
Exact Mass280.06
IUPAC Name1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(Cc2cc(Cl)cs2)CCC1N.Cl
InChIInChI=1S/C11H17ClN2S.ClH/c1-8-5-14(3-2-11(8)13)6-10-4-9(12)7-15-10;/h4,7-8,11H,2-3,5-6,13H2,1H3;1H
InChIKeyKWZPBFMSKKVCFP-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride (CID 120840724) is 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride is CC1CN(Cc2cc(Cl)cs2)CCC1N.Cl.
What is the InChIKey of 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is KWZPBFMSKKVCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2S.ClH/c1-8-5-14(3-2-11(8)13)6-10-4-9(12)7-15-10;/h4,7-8,11H,2-3,5-6,13H2,1H3;1H.
What are the key properties of 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 281.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorothiophen-2-yl)methyl]-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120840724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).