N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine

C16H32N2O — CID 50971002

IUPACN-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-14(13-19-2)17-10-7-15-8-11-18(12-9-15)16-5-3-4-6-16/h14-17H,3-13H2,1-2H3
InChIKeyCKOJYJHMXKFYNM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine

N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine (PubChem CID 50971002) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine
PubChem CID50971002
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H32N2O/c1-14(13-19-2)17-10-7-15-8-11-18(12-9-15)16-5-3-4-6-16/h14-17H,3-13H2,1-2H3
InChIKeyCKOJYJHMXKFYNM-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine (CID 50971002) is N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine is COCC(C)NCCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is CKOJYJHMXKFYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14(13-19-2)17-10-7-15-8-11-18(12-9-15)16-5-3-4-6-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine?
N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopentylpiperidin-4-yl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 50971002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).