(3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

C12H22N2O2 — CID 66030104

IUPAC(3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCC(CO)CC2)C1
InChIInChI=1S/C12H22N2O2/c13-11-2-1-10(7-11)12(16)14-5-3-9(8-15)4-6-14/h9-11,15H,1-8,13H2
InChIKeyCZKBSKNZLBWWDZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.34
Rot. Bonds2

About (3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone

(3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 66030104) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID66030104
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNC1CCC(C(=O)N2CCC(CO)CC2)C1
InChIInChI=1S/C12H22N2O2/c13-11-2-1-10(7-11)12(16)14-5-3-9(8-15)4-6-14/h9-11,15H,1-8,13H2
InChIKeyCZKBSKNZLBWWDZ-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 66030104) is (3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is NC1CCC(C(=O)N2CCC(CO)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is CZKBSKNZLBWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-11-2-1-10(7-11)12(16)14-5-3-9(8-15)4-6-14/h9-11,15H,1-8,13H2.
What are the key properties of (3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone?
(3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 66030104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).