pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride

C20H24ClNO2 — CID 3038979

IUPACpyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride
SMILESCl.O=C(OCc1ccccn1)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H23NO2.ClH/c22-20(23-15-18-13-7-8-14-21-18)19(16-9-3-1-4-10-16)17-11-5-2-6-12-17;/h1,3-4,7-10,13-14,17,19H,2,5-6,11-12,15H2;1H
InChIKeyHAEZDXKEVUNMQD-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.91
Rot. Bonds5

About pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride

pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride (PubChem CID 3038979) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride
PubChem CID3038979
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Namepyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride
SMILESCl.O=C(OCc1ccccn1)C(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H23NO2.ClH/c22-20(23-15-18-13-7-8-14-21-18)19(16-9-3-1-4-10-16)17-11-5-2-6-12-17;/h1,3-4,7-10,13-14,17,19H,2,5-6,11-12,15H2;1H
InChIKeyHAEZDXKEVUNMQD-UHFFFAOYSA-N
XLogP4.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride?
The IUPAC name of pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride (CID 3038979) is pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride.
What is the SMILES notation for pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride?
The canonical SMILES for pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride is Cl.O=C(OCc1ccccn1)C(c1ccccc1)C1CCCCC1.
What is the InChIKey of pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride?
The InChIKey is HAEZDXKEVUNMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.ClH/c22-20(23-15-18-13-7-8-14-21-18)19(16-9-3-1-4-10-16)17-11-5-2-6-12-17;/h1,3-4,7-10,13-14,17,19H,2,5-6,11-12,15H2;1H.
What are the key properties of pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride?
pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-cyclohexyl-2-phenylacetate;hydrochloride is sourced from PubChem (CID 3038979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).