2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone

C12H22N2O2 — CID 63298633

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNCC(O)C1CC1)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-11(10-4-5-10)8-13-9-12(16)14-6-2-1-3-7-14/h10-11,13,15H,1-9H2
InChIKeyKHVCJPJZTBXOED-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds5

About 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone

2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone (PubChem CID 63298633) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
PubChem CID63298633
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNCC(O)C1CC1)N1CCCCC1
InChIInChI=1S/C12H22N2O2/c15-11(10-4-5-10)8-13-9-12(16)14-6-2-1-3-7-14/h10-11,13,15H,1-9H2
InChIKeyKHVCJPJZTBXOED-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone (CID 63298633) is 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone is O=C(CNCC(O)C1CC1)N1CCCCC1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is KHVCJPJZTBXOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-11(10-4-5-10)8-13-9-12(16)14-6-2-1-3-7-14/h10-11,13,15H,1-9H2.
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone?
2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 226.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 63298633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).