4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine

C19H24N2O2 — CID 95727874

IUPAC4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1cccc(OC[C@@H]2CCCN(Cc3ccncc3)C2)c1
InChIInChI=1S/C19H24N2O2/c1-22-18-5-2-6-19(12-18)23-15-17-4-3-11-21(14-17)13-16-7-9-20-10-8-16/h2,5-10,12,17H,3-4,11,13-15H2,1H3/t17-/m1/s1
InChIKeyVEKZPPUJPJBEHQ-QGZVFWFLSA-N
MW312.41 g/mol
LogP3.38
Rot. Bonds6

About 4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine

4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine (PubChem CID 95727874) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
PubChem CID95727874
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
SMILESCOc1cccc(OC[C@@H]2CCCN(Cc3ccncc3)C2)c1
InChIInChI=1S/C19H24N2O2/c1-22-18-5-2-6-19(12-18)23-15-17-4-3-11-21(14-17)13-16-7-9-20-10-8-16/h2,5-10,12,17H,3-4,11,13-15H2,1H3/t17-/m1/s1
InChIKeyVEKZPPUJPJBEHQ-QGZVFWFLSA-N
XLogP3.38
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080
2-[(3-methoxyphenyl)methyl]-6-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 95809167
2-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]pyrazine
CID 70780919
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163355049
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
4-[[3-(2-bromoethyl)piperidin-1-yl]methyl]pyridine
CID 80690340
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol
CID 58737652

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine (CID 95727874) is 4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine is COc1cccc(OC[C@@H]2CCCN(Cc3ccncc3)C2)c1.
What is the InChIKey of 4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine?
The InChIKey is VEKZPPUJPJBEHQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-22-18-5-2-6-19(12-18)23-15-17-4-3-11-21(14-17)13-16-7-9-20-10-8-16/h2,5-10,12,17H,3-4,11,13-15H2,1H3/t17-/m1/s1.
What are the key properties of 4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine?
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine has a molecular weight of 312.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 95727874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).