3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine

C13H26N2O — CID 102963518

IUPAC3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
SMILESCOC1CN(CC2CCC(N)C2)CCC1C
InChIInChI=1S/C13H26N2O/c1-10-5-6-15(9-13(10)16-2)8-11-3-4-12(14)7-11/h10-13H,3-9,14H2,1-2H3
InChIKeyMSPWSZALLZWYSW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds3

About 3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine

3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine (PubChem CID 102963518) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
PubChem CID102963518
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine
SMILESCOC1CN(CC2CCC(N)C2)CCC1C
InChIInChI=1S/C13H26N2O/c1-10-5-6-15(9-13(10)16-2)8-11-3-4-12(14)7-11/h10-13H,3-9,14H2,1-2H3
InChIKeyMSPWSZALLZWYSW-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967197
(3S)-1-[(3-aminocyclopentyl)methyl]pyrrolidin-3-amine
CID 130625838
3-[(3-methoxypyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 103534683
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393
3-methoxy-4-methyl-1-[(4-methylpyrrolidin-3-yl)methyl]piperidine
CID 102963551
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 102966876
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
3-[(3-methylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046292
1-cyclopropyl-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102965354
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine (CID 102963518) is 3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine is COC1CN(CC2CCC(N)C2)CCC1C.
What is the InChIKey of 3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is MSPWSZALLZWYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-5-6-15(9-13(10)16-2)8-11-3-4-12(14)7-11/h10-13H,3-9,14H2,1-2H3.
What are the key properties of 3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine?
3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 102963518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).