2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol

C13H26N2O2 — CID 64827068

IUPAC2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol
SMILESCCOC1CCN(CC(N)(CO)C2CC2)CC1
InChIInChI=1S/C13H26N2O2/c1-2-17-12-5-7-15(8-6-12)9-13(14,10-16)11-3-4-11/h11-12,16H,2-10,14H2,1H3
InChIKeyPZZNWEANNAKYDL-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.59
Rot. Bonds6

About 2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol

2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol (PubChem CID 64827068) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol
PubChem CID64827068
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol
SMILESCCOC1CCN(CC(N)(CO)C2CC2)CC1
InChIInChI=1S/C13H26N2O2/c1-2-17-12-5-7-15(8-6-12)9-13(14,10-16)11-3-4-11/h11-12,16H,2-10,14H2,1H3
InChIKeyPZZNWEANNAKYDL-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol (CID 64827068) is 2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol is CCOC1CCN(CC(N)(CO)C2CC2)CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol?
The InChIKey is PZZNWEANNAKYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-17-12-5-7-15(8-6-12)9-13(14,10-16)11-3-4-11/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol?
2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol has a molecular weight of 242.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 64827068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).