(2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone

C19H21ClN2O2 — CID 53151021

IUPAC(2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-18-6-2-1-5-17(18)19(23)22-11-7-15(8-12-22)9-13-24-16-4-3-10-21-14-16/h1-6,10,14-15H,7-9,11-13H2
InChIKeyIPBHUOOYEUJWPE-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.06
Rot. Bonds5

About (2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone

(2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone (PubChem CID 53151021) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
PubChem CID53151021
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name(2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1
InChIInChI=1S/C19H21ClN2O2/c20-18-6-2-1-5-17(18)19(23)22-11-7-15(8-12-22)9-13-24-16-4-3-10-21-14-16/h1-6,10,14-15H,7-9,11-13H2
InChIKeyIPBHUOOYEUJWPE-UHFFFAOYSA-N
XLogP4.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone (CID 53151021) is (2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCC(CCOc2cccnc2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone?
The InChIKey is IPBHUOOYEUJWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-18-6-2-1-5-17(18)19(23)22-11-7-15(8-12-22)9-13-24-16-4-3-10-21-14-16/h1-6,10,14-15H,7-9,11-13H2.
What are the key properties of (2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone?
(2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone has a molecular weight of 344.84 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(2-pyridin-3-yloxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 53151021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).