N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

C12H20N2S — CID 764547

IUPACN,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(C)Cc2cccs2)CC1
InChIInChI=1S/C12H20N2S/c1-13-7-5-11(6-8-13)14(2)10-12-4-3-9-15-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyTUNRWCTWIKEJFN-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.27
Rot. Bonds3

About N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine (PubChem CID 764547) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
PubChem CID764547
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
SMILESCN1CCC(N(C)Cc2cccs2)CC1
InChIInChI=1S/C12H20N2S/c1-13-7-5-11(6-8-13)14(2)10-12-4-3-9-15-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyTUNRWCTWIKEJFN-UHFFFAOYSA-N
XLogP2.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine (CID 764547) is N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine is CN1CCC(N(C)Cc2cccs2)CC1.
What is the InChIKey of N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
The InChIKey is TUNRWCTWIKEJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-13-7-5-11(6-8-13)14(2)10-12-4-3-9-15-12/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine?
N,1-dimethyl-N-(thiophen-2-ylmethyl)piperidin-4-amine has a molecular weight of 224.37 g/mol, XLogP of 2.27, 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-(thiophen-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 764547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).