N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine

C13H22N2S — CID 114421220

IUPACN-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCC1CCNC(CN(C)Cc2cccs2)C1
InChIInChI=1S/C13H22N2S/c1-11-5-6-14-12(8-11)9-15(2)10-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeyBRFHSGRWKYJGON-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.57
Rot. Bonds4

About N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine

N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 114421220) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID114421220
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCC1CCNC(CN(C)Cc2cccs2)C1
InChIInChI=1S/C13H22N2S/c1-11-5-6-14-12(8-11)9-15(2)10-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3
InChIKeyBRFHSGRWKYJGON-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine
CID 114421302
3-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclobutan-1-amine
CID 115214158
N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 114421337
N-(chloromethyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 115263126
[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]oxolan-2-yl]methanamine
CID 62421915
N,2-dimethyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388890
(2S,4S)-N,2-dimethyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 120636609
N-methyl-3-pyrrolidin-2-yl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 79476302
N-methyl-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62210978
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616177
N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79389328
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine (CID 114421220) is N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine is CC1CCNC(CN(C)Cc2cccs2)C1.
What is the InChIKey of N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is BRFHSGRWKYJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-5-6-14-12(8-11)9-15(2)10-13-4-3-7-16-13/h3-4,7,11-12,14H,5-6,8-10H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 238.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylpiperidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 114421220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).