2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium

C10H21LrN2O- — CID 169184463

IUPAC2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium
SMILESC[CH-]CC1(CCO)CCCN(N)C1.[Lr]
InChIInChI=1S/C10H21N2O.Lr/c1-2-4-10(6-8-13)5-3-7-12(11)9-10;/h2,13H,3-9,11H2,1H3;/q-1;
InChIKeyHAGOUESVDAYCKX-UHFFFAOYSA-N
MW447.29 g/mol
LogP0.94
Rot. Bonds4

About 2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium

2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium (PubChem CID 169184463) has the molecular formula C10H21LrN2O- and a molecular weight of 447.29 g/mol. Its IUPAC name is 2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium.

Molecular Properties

Compound Name2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium
PubChem CID169184463
Molecular FormulaC10H21LrN2O-
Molecular Weight447.29 g/mol
Exact Mass447.28
IUPAC Name2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium
SMILESC[CH-]CC1(CCO)CCCN(N)C1.[Lr]
InChIInChI=1S/C10H21N2O.Lr/c1-2-4-10(6-8-13)5-3-7-12(11)9-10;/h2,13H,3-9,11H2,1H3;/q-1;
InChIKeyHAGOUESVDAYCKX-UHFFFAOYSA-N
XLogP0.94
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium?
The IUPAC name of 2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium (CID 169184463) is 2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium.
What is the SMILES notation for 2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium?
The canonical SMILES for 2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium is C[CH-]CC1(CCO)CCCN(N)C1.[Lr].
What is the InChIKey of 2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium?
The InChIKey is HAGOUESVDAYCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O.Lr/c1-2-4-10(6-8-13)5-3-7-12(11)9-10;/h2,13H,3-9,11H2,1H3;/q-1;.
What are the key properties of 2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium?
2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium has a molecular weight of 447.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-propylpiperidin-3-yl)ethanol;lawrencium is sourced from PubChem (CID 169184463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).