3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride

C13H23ClN2S — CID 120781863

IUPAC3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCc1ccsc1CN1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C13H22N2S.ClH/c1-10-5-7-16-11(10)8-15-6-4-12(14)13(2,3)9-15;/h5,7,12H,4,6,8-9,14H2,1-3H3;1H
InChIKeyWBDFSRXKGYNUBL-UHFFFAOYSA-N
MW274.86 g/mol
LogP3.04
Rot. Bonds2

About 3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride

3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120781863) has the molecular formula C13H23ClN2S and a molecular weight of 274.86 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120781863
Molecular FormulaC13H23ClN2S
Molecular Weight274.86 g/mol
Exact Mass274.13
IUPAC Name3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCc1ccsc1CN1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C13H22N2S.ClH/c1-10-5-7-16-11(10)8-15-6-4-12(14)13(2,3)9-15;/h5,7,12H,4,6,8-9,14H2,1-3H3;1H
InChIKeyWBDFSRXKGYNUBL-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.86
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068987
1-[(2,3-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781919
1-[1-[(3-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80552734
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781390
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
[3-methyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-yl]methanol
CID 115882917
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
(3R,4S)-4-methyl-3-(2-methylpropyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-ol
CID 133116834
3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120967341

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride (CID 120781863) is 3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride is Cc1ccsc1CN1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of 3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is WBDFSRXKGYNUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S.ClH/c1-10-5-7-16-11(10)8-15-6-4-12(14)13(2,3)9-15;/h5,7,12H,4,6,8-9,14H2,1-3H3;1H.
What are the key properties of 3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 274.86 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120781863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).