N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine

C14H24N2S — CID 79488257

IUPACN-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)CC1(C)CCNCC1
InChIInChI=1S/C14H24N2S/c1-14(6-8-15-9-7-14)12-16(2)10-5-13-4-3-11-17-13/h3-4,11,15H,5-10,12H2,1-2H3
InChIKeyKSNYJQGIMUBMLU-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.61
Rot. Bonds5

About N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine

N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 79488257) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID79488257
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCN(CCc1cccs1)CC1(C)CCNCC1
InChIInChI=1S/C14H24N2S/c1-14(6-8-15-9-7-14)12-16(2)10-5-13-4-3-11-17-13/h3-4,11,15H,5-10,12H2,1-2H3
InChIKeyKSNYJQGIMUBMLU-UHFFFAOYSA-N
XLogP2.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylpiperidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 63122818
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79486277
N-[(3-methylpyrrolidin-3-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 63142751
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
1-[2-[methyl(2-thiophen-2-ylethyl)amino]ethyl]cyclohexan-1-amine
CID 79487873
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
N-methyl-2-morpholin-2-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79487699
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 79476302
1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine
CID 63122734
1-(1,4-diazepan-1-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79476598
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
N'-methyl-N'-(2-thiophen-2-ylethyl)but-2-ene-1,4-diamine
CID 79476445

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine (CID 79488257) is N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine is CN(CCc1cccs1)CC1(C)CCNCC1.
What is the InChIKey of N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is KSNYJQGIMUBMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-14(6-8-15-9-7-14)12-16(2)10-5-13-4-3-11-17-13/h3-4,11,15H,5-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine?
N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 252.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 79488257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).