[1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol

C13H22ClN3O — CID 70716472

IUPAC[1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(CCn2cc(Cl)cn2)C1
InChIInChI=1S/C13H22ClN3O/c1-2-13(11-18)4-3-5-16(10-13)6-7-17-9-12(14)8-15-17/h8-9,18H,2-7,10-11H2,1H3
InChIKeyILHKALHGNGULFJ-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.02
Rot. Bonds5

About [1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol

[1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol (PubChem CID 70716472) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is [1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol
PubChem CID70716472
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name[1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol
SMILESCCC1(CO)CCCN(CCn2cc(Cl)cn2)C1
InChIInChI=1S/C13H22ClN3O/c1-2-13(11-18)4-3-5-16(10-13)6-7-17-9-12(14)8-15-17/h8-9,18H,2-7,10-11H2,1H3
InChIKeyILHKALHGNGULFJ-UHFFFAOYSA-N
XLogP2.02
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol?
The IUPAC name of [1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol (CID 70716472) is [1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol is CCC1(CO)CCCN(CCn2cc(Cl)cn2)C1.
What is the InChIKey of [1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol?
The InChIKey is ILHKALHGNGULFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-2-13(11-18)4-3-5-16(10-13)6-7-17-9-12(14)8-15-17/h8-9,18H,2-7,10-11H2,1H3.
What are the key properties of [1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol?
[1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol has a molecular weight of 271.79 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-chloropyrazol-1-yl)ethyl]-3-ethylpiperidin-3-yl]methanol is sourced from PubChem (CID 70716472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).