3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine

C15H26N2S — CID 28680024

IUPAC3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CNCCCN2CCC(C)CC2)s1
InChIInChI=1S/C15H26N2S/c1-13-6-10-17(11-7-13)9-3-8-16-12-15-5-4-14(2)18-15/h4-5,13,16H,3,6-12H2,1-2H3
InChIKeyPEEOIQOSKAMEGL-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.27
Rot. Bonds6

About 3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine

3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 28680024) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
PubChem CID28680024
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
SMILESCc1ccc(CNCCCN2CCC(C)CC2)s1
InChIInChI=1S/C15H26N2S/c1-13-6-10-17(11-7-13)9-3-8-16-12-15-5-4-14(2)18-15/h4-5,13,16H,3,6-12H2,1-2H3
InChIKeyPEEOIQOSKAMEGL-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
2-(4-cyclopropylpiperazin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55089324
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62554063
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
3-(4-methylpiperidin-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 43663301
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 64539929
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62560429
N-[(2,6-difluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679814
1-[3-[(5-methylthiophen-2-yl)methylamino]propyl]pyrrolidin-2-one
CID 17211975
1,3-dimethyl-5-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]pyrimidine-2,4-dione
CID 119126550
2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62575708
N-(1,3-benzodioxol-4-ylmethyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 43583711

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine (CID 28680024) is 3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is Cc1ccc(CNCCCN2CCC(C)CC2)s1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is PEEOIQOSKAMEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-13-6-10-17(11-7-13)9-3-8-16-12-15-5-4-14(2)18-15/h4-5,13,16H,3,6-12H2,1-2H3.
What are the key properties of 3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine?
3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 28680024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).