3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine

C17H19ClN2O — CID 45273132

IUPAC3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESClc1ccccc1OC(c1cccnc1)C1CCNCC1
InChIInChI=1S/C17H19ClN2O/c18-15-5-1-2-6-16(15)21-17(13-7-10-19-11-8-13)14-4-3-9-20-12-14/h1-6,9,12-13,17,19H,7-8,10-11H2
InChIKeyRFKSUPOWTRFCKG-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.85
Rot. Bonds4

About 3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine

3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine (PubChem CID 45273132) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine
PubChem CID45273132
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine
SMILESClc1ccccc1OC(c1cccnc1)C1CCNCC1
InChIInChI=1S/C17H19ClN2O/c18-15-5-1-2-6-16(15)21-17(13-7-10-19-11-8-13)14-4-3-9-20-12-14/h1-6,9,12-13,17,19H,7-8,10-11H2
InChIKeyRFKSUPOWTRFCKG-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The IUPAC name of 3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine (CID 45273132) is 3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine.
What is the SMILES notation for 3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The canonical SMILES for 3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine is Clc1ccccc1OC(c1cccnc1)C1CCNCC1.
What is the InChIKey of 3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine?
The InChIKey is RFKSUPOWTRFCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-5-1-2-6-16(15)21-17(13-7-10-19-11-8-13)14-4-3-9-20-12-14/h1-6,9,12-13,17,19H,7-8,10-11H2.
What are the key properties of 3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine?
3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine has a molecular weight of 302.81 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenoxy)-piperidin-4-ylmethyl]pyridine is sourced from PubChem (CID 45273132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).