N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine

C13H22N2S — CID 115145465

IUPACN,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine
SMILESCc1ccsc1N(C)C1CCNC(C)(C)C1
InChIInChI=1S/C13H22N2S/c1-10-6-8-16-12(10)15(4)11-5-7-14-13(2,3)9-11/h6,8,11,14H,5,7,9H2,1-4H3
InChIKeyJSTVNNRXBXQWJU-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.02
Rot. Bonds2

About N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine

N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine (PubChem CID 115145465) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine
PubChem CID115145465
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine
SMILESCc1ccsc1N(C)C1CCNC(C)(C)C1
InChIInChI=1S/C13H22N2S/c1-10-6-8-16-12(10)15(4)11-5-7-14-13(2,3)9-11/h6,8,11,14H,5,7,9H2,1-4H3
InChIKeyJSTVNNRXBXQWJU-UHFFFAOYSA-N
XLogP3.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine?
The IUPAC name of N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine (CID 115145465) is N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine.
What is the SMILES notation for N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine?
The canonical SMILES for N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine is Cc1ccsc1N(C)C1CCNC(C)(C)C1.
What is the InChIKey of N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine?
The InChIKey is JSTVNNRXBXQWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-6-8-16-12(10)15(4)11-5-7-14-13(2,3)9-11/h6,8,11,14H,5,7,9H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine?
N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(3-methylthiophen-2-yl)piperidin-4-amine is sourced from PubChem (CID 115145465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).