[1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine

C14H28N2O — CID 114221232

IUPAC[1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine
SMILESCOC1CCN(CC2(CN)CCCC2)C(C)C1
InChIInChI=1S/C14H28N2O/c1-12-9-13(17-2)5-8-16(12)11-14(10-15)6-3-4-7-14/h12-13H,3-11,15H2,1-2H3
InChIKeyDOIAVCMHFYTQGS-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds4

About [1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine

[1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine (PubChem CID 114221232) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is [1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine
PubChem CID114221232
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name[1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine
SMILESCOC1CCN(CC2(CN)CCCC2)C(C)C1
InChIInChI=1S/C14H28N2O/c1-12-9-13(17-2)5-8-16(12)11-14(10-15)6-3-4-7-14/h12-13H,3-11,15H2,1-2H3
InChIKeyDOIAVCMHFYTQGS-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of [1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine (CID 114221232) is [1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for [1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine is COC1CCN(CC2(CN)CCCC2)C(C)C1.
What is the InChIKey of [1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine?
The InChIKey is DOIAVCMHFYTQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12-9-13(17-2)5-8-16(12)11-14(10-15)6-3-4-7-14/h12-13H,3-11,15H2,1-2H3.
What are the key properties of [1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine?
[1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxy-2-methylpiperidin-1-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 114221232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).