2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine

C18H32N2S — CID 79413585

IUPAC2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C(C)Cc2ccc(C)s2)C(C)C1C
InChIInChI=1S/C18H32N2S/c1-6-10-19-18-9-11-20(16(5)15(18)4)13(2)12-17-8-7-14(3)21-17/h7-8,13,15-16,18-19H,6,9-12H2,1-5H3
InChIKeyYDWXIIZQGJBJAS-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.09
Rot. Bonds6

About 2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine

2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine (PubChem CID 79413585) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is 2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine
PubChem CID79413585
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC Name2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(C(C)Cc2ccc(C)s2)C(C)C1C
InChIInChI=1S/C18H32N2S/c1-6-10-19-18-9-11-20(16(5)15(18)4)13(2)12-17-8-7-14(3)21-17/h7-8,13,15-16,18-19H,6,9-12H2,1-5H3
InChIKeyYDWXIIZQGJBJAS-UHFFFAOYSA-N
XLogP4.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 79407166
2,3-dimethyl-1-[1-(2-methylphenyl)ethyl]-N-propylpiperidin-4-amine
CID 79413405
2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)-N-propylpiperidin-4-amine
CID 79407079
N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine
CID 79397893
2,3-dimethyl-1-(4-methylphenyl)-N-propylpiperidin-4-amine
CID 79397861
N,2,3-trimethyl-1-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 79396546
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79396947
3-ethyl-2-[1-(5-methylthiophen-2-yl)propan-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915981
2,5-diethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64941276
1-[(2-ethylphenyl)methyl]-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79413586
1-(4-fluorophenyl)-2,3-dimethyl-N-propylpiperidin-4-amine
CID 79396906
N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 79407315

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine (CID 79413585) is 2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine is CCCNC1CCN(C(C)Cc2ccc(C)s2)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine?
The InChIKey is YDWXIIZQGJBJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-6-10-19-18-9-11-20(16(5)15(18)4)13(2)12-17-8-7-14(3)21-17/h7-8,13,15-16,18-19H,6,9-12H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine?
2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine has a molecular weight of 308.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 79413585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).