2-(1-phosphanylpiperidin-4-yl)ethanamine

C7H17N2P — CID 118531891

IUPAC2-(1-phosphanylpiperidin-4-yl)ethanamine
SMILESNCCC1CCN(P)CC1
InChIInChI=1S/C7H17N2P/c8-4-1-7-2-5-9(10)6-3-7/h7H,1-6,8,10H2
InChIKeyYBWHOXSVPWXNCJ-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.84
Rot. Bonds2

About 2-(1-phosphanylpiperidin-4-yl)ethanamine

2-(1-phosphanylpiperidin-4-yl)ethanamine (PubChem CID 118531891) has the molecular formula C7H17N2P and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-(1-phosphanylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-phosphanylpiperidin-4-yl)ethanamine
PubChem CID118531891
Molecular FormulaC7H17N2P
Molecular Weight160.20 g/mol
Exact Mass160.11
IUPAC Name2-(1-phosphanylpiperidin-4-yl)ethanamine
SMILESNCCC1CCN(P)CC1
InChIInChI=1S/C7H17N2P/c8-4-1-7-2-5-9(10)6-3-7/h7H,1-6,8,10H2
InChIKeyYBWHOXSVPWXNCJ-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phosphanylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(1-phosphanylpiperidin-4-yl)ethanamine (CID 118531891) is 2-(1-phosphanylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(1-phosphanylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(1-phosphanylpiperidin-4-yl)ethanamine is NCCC1CCN(P)CC1.
What is the InChIKey of 2-(1-phosphanylpiperidin-4-yl)ethanamine?
The InChIKey is YBWHOXSVPWXNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2P/c8-4-1-7-2-5-9(10)6-3-7/h7H,1-6,8,10H2.
What are the key properties of 2-(1-phosphanylpiperidin-4-yl)ethanamine?
2-(1-phosphanylpiperidin-4-yl)ethanamine has a molecular weight of 160.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phosphanylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 118531891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).