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

C18H24N2S — CID 115615379

IUPAC1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C18H24N2S/c1-14-12-20(2)9-8-18(14)19-11-17-10-16(13-21-17)15-6-4-3-5-7-15/h3-7,10,13-14,18-19H,8-9,11-12H2,1-2H3
InChIKeyYQUKYRPQVBFZSW-UHFFFAOYSA-N
MW300.47 g/mol
LogP3.84
Rot. Bonds4

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

1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine (PubChem CID 115615379) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine
PubChem CID115615379
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC Name1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCC1CN(C)CCC1NCc1cc(-c2ccccc2)cs1
InChIInChI=1S/C18H24N2S/c1-14-12-20(2)9-8-18(14)19-11-17-10-16(13-21-17)15-6-4-3-5-7-15/h3-7,10,13-14,18-19H,8-9,11-12H2,1-2H3
InChIKeyYQUKYRPQVBFZSW-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115615393
2,6-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-1-amine
CID 83009317
3-methyl-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 114543900
molecular hydrogen;trans-(1R,2R)-2,3,4,4-tetramethyl-N-[(4-phenylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 144611701
1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 115615391
2-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 113338430
3-methoxy-N-[(4-phenylthiophen-2-yl)methyl]cyclopentan-1-amine
CID 103081741
N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 113260030
(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
CID 15541148
(3R,4S)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine;(3S,4R)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 159445315
1,3-dimethyl-N-(quinolin-4-ylmethyl)piperidin-4-amine
CID 115619138
1-(oxan-4-yl)-N-[(4-phenylthiophen-2-yl)methyl]methanamine
CID 62350153

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine (CID 115615379) is 1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine is CC1CN(C)CCC1NCc1cc(-c2ccccc2)cs1.
What is the InChIKey of 1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine?
The InChIKey is YQUKYRPQVBFZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-14-12-20(2)9-8-18(14)19-11-17-10-16(13-21-17)15-6-4-3-5-7-15/h3-7,10,13-14,18-19H,8-9,11-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine?
1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine has a molecular weight of 300.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(4-phenylthiophen-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 115615379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).