[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone

C12H22N2O2 — CID 94008212

IUPAC[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNCC1(C(=O)N2CCC[C@H](O)C2)CCCC1
InChIInChI=1S/C12H22N2O2/c13-9-12(5-1-2-6-12)11(16)14-7-3-4-10(15)8-14/h10,15H,1-9,13H2/t10-/m0/s1
InChIKeyQSIKBRNSJGHDKL-JTQLQIEISA-N
MW226.32 g/mol
LogP0.49
Rot. Bonds2

About [1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone

[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 94008212) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID94008212
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNCC1(C(=O)N2CCC[C@H](O)C2)CCCC1
InChIInChI=1S/C12H22N2O2/c13-9-12(5-1-2-6-12)11(16)14-7-3-4-10(15)8-14/h10,15H,1-9,13H2/t10-/m0/s1
InChIKeyQSIKBRNSJGHDKL-JTQLQIEISA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 94008212) is [1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is NCC1(C(=O)N2CCC[C@H](O)C2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is QSIKBRNSJGHDKL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H22N2O2/c13-9-12(5-1-2-6-12)11(16)14-7-3-4-10(15)8-14/h10,15H,1-9,13H2/t10-/m0/s1.
What are the key properties of [1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone?
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 94008212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).