1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine

C13H22N2S — CID 115706103

IUPAC1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
SMILESCC(NC1CCN(C)CC1C)c1cccs1
InChIInChI=1S/C13H22N2S/c1-10-9-15(3)7-6-12(10)14-11(2)13-5-4-8-16-13/h4-5,8,10-12,14H,6-7,9H2,1-3H3
InChIKeyJFCIUHXAVSMWPZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.74
Rot. Bonds3

About 1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine

1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine (PubChem CID 115706103) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
PubChem CID115706103
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
SMILESCC(NC1CCN(C)CC1C)c1cccs1
InChIInChI=1S/C13H22N2S/c1-10-9-15(3)7-6-12(10)14-11(2)13-5-4-8-16-13/h4-5,8,10-12,14H,6-7,9H2,1-3H3
InChIKeyJFCIUHXAVSMWPZ-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-1,3-dimethylpiperidin-4-amine
CID 114503172
N-[1-(1-benzothiophen-2-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115718237
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
1,3-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)piperidin-4-amine
CID 115717630
1,3-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]piperidin-4-amine
CID 115707104
5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
N-[1-(2,5-dichlorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115714676
N-[1-(2,4-dibromophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115717601
2-methyl-N-[(1R)-1-thiophen-2-ylethyl]thiolan-3-amine
CID 102684058

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine (CID 115706103) is 1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine is CC(NC1CCN(C)CC1C)c1cccs1.
What is the InChIKey of 1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine?
The InChIKey is JFCIUHXAVSMWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-9-15(3)7-6-12(10)14-11(2)13-5-4-8-16-13/h4-5,8,10-12,14H,6-7,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine?
1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine is sourced from PubChem (CID 115706103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).