N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine

C15H25ClN2S — CID 83198293

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
SMILESCN(Cc1ccc(Cl)s1)CC(C)(C)C1CCCNC1
InChIInChI=1S/C15H25ClN2S/c1-15(2,12-5-4-8-17-9-12)11-18(3)10-13-6-7-14(16)19-13/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyLABFAFCWLTZXGW-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.86
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine (PubChem CID 83198293) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
PubChem CID83198293
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
SMILESCN(Cc1ccc(Cl)s1)CC(C)(C)C1CCCNC1
InChIInChI=1S/C15H25ClN2S/c1-15(2,12-5-4-8-17-9-12)11-18(3)10-13-6-7-14(16)19-13/h6-7,12,17H,4-5,8-11H2,1-3H3
InChIKeyLABFAFCWLTZXGW-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200291
N,2-dimethyl-2-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 83198928
N-[(3-bromophenyl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine
CID 83200199
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-piperidin-3-ylacetamide
CID 62675072
4-fluoro-N-methyl-N-(2-methyl-2-piperidin-3-ylpropyl)aniline
CID 83198617
N,N-dimethyl-1-[[methyl-(2-methyl-2-piperidin-3-ylpropyl)amino]methyl]cyclobutan-1-amine
CID 105421322
N,2-dimethyl-N-(oxan-2-ylmethyl)-2-piperidin-3-ylpropan-1-amine
CID 83199655
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-piperidin-3-ylacetamide
CID 62674900
2-(bromomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-propylpentan-1-amine
CID 65005028
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62616719
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929707
2-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylpentanoic acid
CID 62272699

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine (CID 83198293) is N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine is CN(Cc1ccc(Cl)s1)CC(C)(C)C1CCCNC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine?
The InChIKey is LABFAFCWLTZXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-15(2,12-5-4-8-17-9-12)11-18(3)10-13-6-7-14(16)19-13/h6-7,12,17H,4-5,8-11H2,1-3H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine has a molecular weight of 300.90 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethyl-2-piperidin-3-ylpropan-1-amine is sourced from PubChem (CID 83198293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).