(3S,5S)-1-amino-5-ethylpiperidin-3-ol

C7H16N2O — CID 134534726

IUPAC(3S,5S)-1-amino-5-ethylpiperidin-3-ol
SMILESCC[C@H]1C[C@H](O)CN(N)C1
InChIInChI=1S/C7H16N2O/c1-2-6-3-7(10)5-9(8)4-6/h6-7,10H,2-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyNNQXATZKIXBWPF-BQBZGAKWSA-N
MW144.22 g/mol
LogP-0.05
Rot. Bonds1

About (3S,5S)-1-amino-5-ethylpiperidin-3-ol

(3S,5S)-1-amino-5-ethylpiperidin-3-ol (PubChem CID 134534726) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (3S,5S)-1-amino-5-ethylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-1-amino-5-ethylpiperidin-3-ol
PubChem CID134534726
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(3S,5S)-1-amino-5-ethylpiperidin-3-ol
SMILESCC[C@H]1C[C@H](O)CN(N)C1
InChIInChI=1S/C7H16N2O/c1-2-6-3-7(10)5-9(8)4-6/h6-7,10H,2-5,8H2,1H3/t6-,7-/m0/s1
InChIKeyNNQXATZKIXBWPF-BQBZGAKWSA-N
XLogP-0.05
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-1-amino-5-ethylpiperidin-3-ol?
The IUPAC name of (3S,5S)-1-amino-5-ethylpiperidin-3-ol (CID 134534726) is (3S,5S)-1-amino-5-ethylpiperidin-3-ol.
What is the SMILES notation for (3S,5S)-1-amino-5-ethylpiperidin-3-ol?
The canonical SMILES for (3S,5S)-1-amino-5-ethylpiperidin-3-ol is CC[C@H]1C[C@H](O)CN(N)C1.
What is the InChIKey of (3S,5S)-1-amino-5-ethylpiperidin-3-ol?
The InChIKey is NNQXATZKIXBWPF-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H16N2O/c1-2-6-3-7(10)5-9(8)4-6/h6-7,10H,2-5,8H2,1H3/t6-,7-/m0/s1.
What are the key properties of (3S,5S)-1-amino-5-ethylpiperidin-3-ol?
(3S,5S)-1-amino-5-ethylpiperidin-3-ol has a molecular weight of 144.22 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-1-amino-5-ethylpiperidin-3-ol is sourced from PubChem (CID 134534726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).