5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine

C17H19ClN2O — CID 59438135

IUPAC5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine
SMILESClc1ccc(OC[C@H]2CCNC[C@@H]2c2ccccc2)nc1
InChIInChI=1S/C17H19ClN2O/c18-15-6-7-17(20-10-15)21-12-14-8-9-19-11-16(14)13-4-2-1-3-5-13/h1-7,10,14,16,19H,8-9,11-12H2/t14-,16-/m1/s1
InChIKeyDVMFEQWHKNFNRL-GDBMZVCRSA-N
MW302.81 g/mol
LogP3.51
Rot. Bonds4

About 5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine

5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine (PubChem CID 59438135) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine
PubChem CID59438135
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine
SMILESClc1ccc(OC[C@H]2CCNC[C@@H]2c2ccccc2)nc1
InChIInChI=1S/C17H19ClN2O/c18-15-6-7-17(20-10-15)21-12-14-8-9-19-11-16(14)13-4-2-1-3-5-13/h1-7,10,14,16,19H,8-9,11-12H2/t14-,16-/m1/s1
InChIKeyDVMFEQWHKNFNRL-GDBMZVCRSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine?
The IUPAC name of 5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine (CID 59438135) is 5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine.
What is the SMILES notation for 5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine?
The canonical SMILES for 5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine is Clc1ccc(OC[C@H]2CCNC[C@@H]2c2ccccc2)nc1.
What is the InChIKey of 5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine?
The InChIKey is DVMFEQWHKNFNRL-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-15-6-7-17(20-10-15)21-12-14-8-9-19-11-16(14)13-4-2-1-3-5-13/h1-7,10,14,16,19H,8-9,11-12H2/t14-,16-/m1/s1.
What are the key properties of 5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine?
5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine has a molecular weight of 302.81 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine is sourced from PubChem (CID 59438135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).