(3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol

C14H23N3O — CID 66140858

IUPAC(3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol
SMILESCCC1CCNC(C(O)c2cncn2C2CC2)C1
InChIInChI=1S/C14H23N3O/c1-2-10-5-6-16-12(7-10)14(18)13-8-15-9-17(13)11-3-4-11/h8-12,14,16,18H,2-7H2,1H3
InChIKeyKNLUOIDACDILFM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.03
Rot. Bonds4

About (3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol

(3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol (PubChem CID 66140858) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol
PubChem CID66140858
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol
SMILESCCC1CCNC(C(O)c2cncn2C2CC2)C1
InChIInChI=1S/C14H23N3O/c1-2-10-5-6-16-12(7-10)14(18)13-8-15-9-17(13)11-3-4-11/h8-12,14,16,18H,2-7H2,1H3
InChIKeyKNLUOIDACDILFM-UHFFFAOYSA-N
XLogP2.03
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol?
The IUPAC name of (3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol (CID 66140858) is (3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol is CCC1CCNC(C(O)c2cncn2C2CC2)C1.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol?
The InChIKey is KNLUOIDACDILFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-10-5-6-16-12(7-10)14(18)13-8-15-9-17(13)11-3-4-11/h8-12,14,16,18H,2-7H2,1H3.
What are the key properties of (3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol?
(3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol has a molecular weight of 249.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)-(4-ethylpiperidin-2-yl)methanol is sourced from PubChem (CID 66140858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).