(3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine

C12H25N2O3P — CID 67045454

IUPAC(3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine
SMILESCCOP(=O)(N[C@@H]1CNCC[C@H]1C1CC1)OCC
InChIInChI=1S/C12H25N2O3P/c1-3-16-18(15,17-4-2)14-12-9-13-8-7-11(12)10-5-6-10/h10-13H,3-9H2,1-2H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyGUYKTJJGCNDECQ-NWDGAFQWSA-N
MW276.32 g/mol
LogP2.15
Rot. Bonds7

About (3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine

(3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine (PubChem CID 67045454) has the molecular formula C12H25N2O3P and a molecular weight of 276.32 g/mol. Its IUPAC name is (3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine
PubChem CID67045454
Molecular FormulaC12H25N2O3P
Molecular Weight276.32 g/mol
Exact Mass276.16
IUPAC Name(3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine
SMILESCCOP(=O)(N[C@@H]1CNCC[C@H]1C1CC1)OCC
InChIInChI=1S/C12H25N2O3P/c1-3-16-18(15,17-4-2)14-12-9-13-8-7-11(12)10-5-6-10/h10-13H,3-9H2,1-2H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyGUYKTJJGCNDECQ-NWDGAFQWSA-N
XLogP2.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine?
The IUPAC name of (3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine (CID 67045454) is (3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine.
What is the SMILES notation for (3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine?
The canonical SMILES for (3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine is CCOP(=O)(N[C@@H]1CNCC[C@H]1C1CC1)OCC.
What is the InChIKey of (3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine?
The InChIKey is GUYKTJJGCNDECQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H25N2O3P/c1-3-16-18(15,17-4-2)14-12-9-13-8-7-11(12)10-5-6-10/h10-13H,3-9H2,1-2H3,(H,14,15)/t11-,12+/m0/s1.
What are the key properties of (3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine?
(3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine has a molecular weight of 276.32 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-cyclopropyl-N-diethoxyphosphorylpiperidin-3-amine is sourced from PubChem (CID 67045454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).