N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine

C13H22N2S — CID 757773

IUPACN,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCc1ccc(CN(C)C2CCN(C)CC2)s1
InChIInChI=1S/C13H22N2S/c1-11-4-5-13(16-11)10-15(3)12-6-8-14(2)9-7-12/h4-5,12H,6-10H2,1-3H3
InChIKeyRPVACLUYJCXYEJ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.58
Rot. Bonds3

About N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine

N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine (PubChem CID 757773) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
PubChem CID757773
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine
SMILESCc1ccc(CN(C)C2CCN(C)CC2)s1
InChIInChI=1S/C13H22N2S/c1-11-4-5-13(16-11)10-15(3)12-6-8-14(2)9-7-12/h4-5,12H,6-10H2,1-3H3
InChIKeyRPVACLUYJCXYEJ-UHFFFAOYSA-N
XLogP2.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyl-1-(thiophen-2-yl)methanamine
CID 95702
4-[[5-(Thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]thiomorpholine
CID 155558013
1-Methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]methyl]piperazine
CID 155539892
Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
2-Thiophen-2-yl-piperazine
CID 2771726
(5-((Dimethylamino)methyl)thiophen-2-yl)methanamine
CID 20098884
1-(3-Thiophen-2-ylpropyl)piperidine
CID 240850
1-(2-Thienylmethyl)azepane
CID 791429
2-(4-Methylpiperidin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 4352910
2-(4-Methylpiperazin-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3261684
2-(Dimethylamino)-2-(thiophen-2-yl)acetonitrile
CID 10702333
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine (CID 757773) is N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine is Cc1ccc(CN(C)C2CCN(C)CC2)s1.
What is the InChIKey of N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
The InChIKey is RPVACLUYJCXYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-4-5-13(16-11)10-15(3)12-6-8-14(2)9-7-12/h4-5,12H,6-10H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine?
N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(5-methylthiophen-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 757773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).