[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

C14H26N2O3 — CID 82695746

IUPAC[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNCC1CCCC1C(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C14H26N2O3/c15-10-11-2-1-3-13(11)14(18)16-6-4-12(5-7-16)19-9-8-17/h11-13,17H,1-10,15H2
InChIKeyATEKDKGRLHZKRW-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.36
Rot. Bonds5

About [2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone

[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (PubChem CID 82695746) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is [2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
PubChem CID82695746
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
SMILESNCC1CCCC1C(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C14H26N2O3/c15-10-11-2-1-3-13(11)14(18)16-6-4-12(5-7-16)19-9-8-17/h11-13,17H,1-10,15H2
InChIKeyATEKDKGRLHZKRW-UHFFFAOYSA-N
XLogP0.36
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of [2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone (CID 82695746) is [2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is NCC1CCCC1C(=O)N1CCC(OCCO)CC1.
What is the InChIKey of [2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
The InChIKey is ATEKDKGRLHZKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c15-10-11-2-1-3-13(11)14(18)16-6-4-12(5-7-16)19-9-8-17/h11-13,17H,1-10,15H2.
What are the key properties of [2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone?
[2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone has a molecular weight of 270.37 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 82695746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).