3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride

C18H25ClN2S — CID 120782200

IUPAC3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(-c3ccccc3)s2)CCC1N.Cl
InChIInChI=1S/C18H24N2S.ClH/c1-18(2)13-20(11-10-17(18)19)12-15-8-9-16(21-15)14-6-4-3-5-7-14;/h3-9,17H,10-13,19H2,1-2H3;1H
InChIKeyFSOOXVGPBZJSMG-UHFFFAOYSA-N
MW336.93 g/mol
LogP4.40
Rot. Bonds3

About 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride

3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 120782200) has the molecular formula C18H25ClN2S and a molecular weight of 336.93 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
PubChem CID120782200
Molecular FormulaC18H25ClN2S
Molecular Weight336.93 g/mol
Exact Mass336.14
IUPAC Name3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2ccc(-c3ccccc3)s2)CCC1N.Cl
InChIInChI=1S/C18H24N2S.ClH/c1-18(2)13-20(11-10-17(18)19)12-15-8-9-16(21-15)14-6-4-3-5-7-14;/h3-9,17H,10-13,19H2,1-2H3;1H
InChIKeyFSOOXVGPBZJSMG-UHFFFAOYSA-N
XLogP4.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.93
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-dimethyl-1-[[5-(2-nitrophenyl)thiophen-2-yl]methyl]piperidin-4-amine;hydrochloride
CID 120782272
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325
3,3-dimethyl-1-[(3-phenyl-1H-pyrazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781769
3-[(5-phenylthiophen-2-yl)methyl]-3-azabicyclo[3.2.1]octan-8-amine
CID 156609103
2-[methyl-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042939
3-(hydroxymethyl)-1-[(5-phenylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 77082470
3,3-dimethyl-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 120774254
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;dihydrochloride
CID 120774108
1-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781947

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride (CID 120782200) is 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride is CC1(C)CN(Cc2ccc(-c3ccccc3)s2)CCC1N.Cl.
What is the InChIKey of 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is FSOOXVGPBZJSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S.ClH/c1-18(2)13-20(11-10-17(18)19)12-15-8-9-16(21-15)14-6-4-3-5-7-14;/h3-9,17H,10-13,19H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 336.93 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120782200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).