N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine

C15H25ClN2S — CID 143113279

IUPACN-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCc1sc(Cl)cc1CN(CC(C)C)C1CCNCC1
InChIInChI=1S/C15H25ClN2S/c1-11(2)9-18(14-4-6-17-7-5-14)10-13-8-15(16)19-12(13)3/h8,11,14,17H,4-7,9-10H2,1-3H3
InChIKeyNIHVNKGEOUFUCC-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.92
Rot. Bonds5

About N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine

N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 143113279) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID143113279
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC NameN-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESCc1sc(Cl)cc1CN(CC(C)C)C1CCNCC1
InChIInChI=1S/C15H25ClN2S/c1-11(2)9-18(14-4-6-17-7-5-14)10-13-8-15(16)19-12(13)3/h8,11,14,17H,4-7,9-10H2,1-3H3
InChIKeyNIHVNKGEOUFUCC-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine (CID 143113279) is N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine is Cc1sc(Cl)cc1CN(CC(C)C)C1CCNCC1.
What is the InChIKey of N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is NIHVNKGEOUFUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-11(2)9-18(14-4-6-17-7-5-14)10-13-8-15(16)19-12(13)3/h8,11,14,17H,4-7,9-10H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine?
N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 300.90 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methylthiophen-3-yl)methyl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 143113279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).