N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine

C13H22N2S — CID 79707515

IUPACN-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESCc1ccc(CN(C)CC2CCNCC2)s1
InChIInChI=1S/C13H22N2S/c1-11-3-4-13(16-11)10-15(2)9-12-5-7-14-8-6-12/h3-4,12,14H,5-10H2,1-2H3
InChIKeyOKRPJVPDGVOSBH-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.49
Rot. Bonds4

About N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine

N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 79707515) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID79707515
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
SMILESCc1ccc(CN(C)CC2CCNCC2)s1
InChIInChI=1S/C13H22N2S/c1-11-3-4-13(16-11)10-15(2)9-12-5-7-14-8-6-12/h3-4,12,14H,5-10H2,1-2H3
InChIKeyOKRPJVPDGVOSBH-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79708057
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929706
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-morpholin-2-ylmethanamine
CID 78945054
4-[(5-methylthiophen-2-yl)methyl]piperidine
CID 83685814
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 16768485
N-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 130734905
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211660
[4-[[methyl(piperidin-4-ylmethyl)amino]methyl]phenyl]methanol
CID 113365922
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylpiperidine-4-carboxamide;hydrochloride
CID 119304582
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929707

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine (CID 79707515) is N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine is Cc1ccc(CN(C)CC2CCNCC2)s1.
What is the InChIKey of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is OKRPJVPDGVOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-3-4-13(16-11)10-15(2)9-12-5-7-14-8-6-12/h3-4,12,14H,5-10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine?
N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 79707515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).