N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine

C17H28N2S — CID 83998289

IUPACN-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine
SMILESCN1CC(NCC2CCCCC2)CC(c2cccs2)C1
InChIInChI=1S/C17H28N2S/c1-19-12-15(17-8-5-9-20-17)10-16(13-19)18-11-14-6-3-2-4-7-14/h5,8-9,14-16,18H,2-4,6-7,10-13H2,1H3
InChIKeyMFESOYZYFDNKGF-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.71
Rot. Bonds4

About N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine

N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine (PubChem CID 83998289) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine
PubChem CID83998289
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine
SMILESCN1CC(NCC2CCCCC2)CC(c2cccs2)C1
InChIInChI=1S/C17H28N2S/c1-19-12-15(17-8-5-9-20-17)10-16(13-19)18-11-14-6-3-2-4-7-14/h5,8-9,14-16,18H,2-4,6-7,10-13H2,1H3
InChIKeyMFESOYZYFDNKGF-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-1-cyclopropyl-5-thiophen-2-ylpiperidin-3-amine
CID 83998686
N-(cyclohexylmethyl)-1-methyl-5-(thiophen-2-ylmethyl)piperidin-3-amine
CID 83998292
1-methyl-5-thiophen-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992062
N-(cyclopropylmethyl)-1-methyl-5-(thiophen-2-ylmethyl)piperidin-3-amine
CID 83996218
N-(cyclobutylmethyl)-5-(3-fluorophenyl)-1-methylpiperidin-3-amine
CID 83996930
N-(cyclohexylmethyl)-5-phenyl-1-propan-2-ylpiperidin-3-amine
CID 83998453
tert-butyl N-(1-methyl-5-thiophen-2-ylpiperidin-3-yl)carbamate
CID 112544264
1-ethyl-N-methyl-5-thiophen-2-ylpiperidin-3-amine
CID 83989566
N-(cyclohexylmethyl)-5-(cyclopropylmethyl)-1-methylpiperidin-3-amine
CID 83998283
N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 83998287
N-(cyclopropylmethyl)-5-(3-methoxyphenyl)-1-methylpiperidin-3-amine
CID 83996237
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83997610

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine (CID 83998289) is N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine is CN1CC(NCC2CCCCC2)CC(c2cccs2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine?
The InChIKey is MFESOYZYFDNKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-19-12-15(17-8-5-9-20-17)10-16(13-19)18-11-14-6-3-2-4-7-14/h5,8-9,14-16,18H,2-4,6-7,10-13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine?
N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine has a molecular weight of 292.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-methyl-5-thiophen-2-ylpiperidin-3-amine is sourced from PubChem (CID 83998289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).