1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol

C14H22N2O2 — CID 178102990

IUPAC1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol
SMILESCCCC(NC)C(O)c1cnccc1OC1CC1
InChIInChI=1S/C14H22N2O2/c1-3-4-12(15-2)14(17)11-9-16-8-7-13(11)18-10-5-6-10/h7-10,12,14-15,17H,3-6H2,1-2H3
InChIKeyIWIIXMZLRSAGTF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.04
Rot. Bonds7

About 1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol

1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol (PubChem CID 178102990) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol
PubChem CID178102990
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol
SMILESCCCC(NC)C(O)c1cnccc1OC1CC1
InChIInChI=1S/C14H22N2O2/c1-3-4-12(15-2)14(17)11-9-16-8-7-13(11)18-10-5-6-10/h7-10,12,14-15,17H,3-6H2,1-2H3
InChIKeyIWIIXMZLRSAGTF-UHFFFAOYSA-N
XLogP2.04
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol?
The IUPAC name of 1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol (CID 178102990) is 1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol?
The canonical SMILES for 1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol is CCCC(NC)C(O)c1cnccc1OC1CC1.
What is the InChIKey of 1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol?
The InChIKey is IWIIXMZLRSAGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-12(15-2)14(17)11-9-16-8-7-13(11)18-10-5-6-10/h7-10,12,14-15,17H,3-6H2,1-2H3.
What are the key properties of 1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol?
1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxy-3-pyridinyl)-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 178102990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).