[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone

C14H26N2O2 — CID 82701030

IUPAC[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCC(OCCN)CC2)CCCC1
InChIInChI=1S/C14H26N2O2/c1-14(6-2-3-7-14)13(17)16-9-4-12(5-10-16)18-11-8-15/h12H,2-11,15H2,1H3
InChIKeySMTIQXKGQJPEFQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds4

About [4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone

[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone (PubChem CID 82701030) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
PubChem CID82701030
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)N2CCC(OCCN)CC2)CCCC1
InChIInChI=1S/C14H26N2O2/c1-14(6-2-3-7-14)13(17)16-9-4-12(5-10-16)18-11-8-15/h12H,2-11,15H2,1H3
InChIKeySMTIQXKGQJPEFQ-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone?
The IUPAC name of [4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone (CID 82701030) is [4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone.
What is the SMILES notation for [4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone?
The canonical SMILES for [4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone is CC1(C(=O)N2CCC(OCCN)CC2)CCCC1.
What is the InChIKey of [4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone?
The InChIKey is SMTIQXKGQJPEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(6-2-3-7-14)13(17)16-9-4-12(5-10-16)18-11-8-15/h12H,2-11,15H2,1H3.
What are the key properties of [4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone?
[4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethoxy)piperidin-1-yl]-(1-methylcyclopentyl)methanone is sourced from PubChem (CID 82701030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).