N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine

C14H23ClN2S — CID 103401557

IUPACN-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCc1csc(CNC(C)CN2CCCCC2)c1Cl
InChIInChI=1S/C14H23ClN2S/c1-11-10-18-13(14(11)15)8-16-12(2)9-17-6-4-3-5-7-17/h10,12,16H,3-9H2,1-2H3
InChIKeyHQCFUKHNKZGQDF-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.67
Rot. Bonds5

About N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine

N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 103401557) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID103401557
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC NameN-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCc1csc(CNC(C)CN2CCCCC2)c1Cl
InChIInChI=1S/C14H23ClN2S/c1-11-10-18-13(14(11)15)8-16-12(2)9-17-6-4-3-5-7-17/h10,12,16H,3-9H2,1-2H3
InChIKeyHQCFUKHNKZGQDF-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine (CID 103401557) is N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine is Cc1csc(CNC(C)CN2CCCCC2)c1Cl.
What is the InChIKey of N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is HQCFUKHNKZGQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-11-10-18-13(14(11)15)8-16-12(2)9-17-6-4-3-5-7-17/h10,12,16H,3-9H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine?
N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 286.87 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylthiophen-2-yl)methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 103401557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).