2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine

C20H26N2O — CID 167966541

IUPAC2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine
SMILESCc1ccc(COc2ccc(CC3CCCNC3)cc2)c(C)n1
InChIInChI=1S/C20H26N2O/c1-15-5-8-19(16(2)22-15)14-23-20-9-6-17(7-10-20)12-18-4-3-11-21-13-18/h5-10,18,21H,3-4,11-14H2,1-2H3
InChIKeyBMQPUWKMRPCJTM-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.82
Rot. Bonds5

About 2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine

2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine (PubChem CID 167966541) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine
PubChem CID167966541
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine
SMILESCc1ccc(COc2ccc(CC3CCCNC3)cc2)c(C)n1
InChIInChI=1S/C20H26N2O/c1-15-5-8-19(16(2)22-15)14-23-20-9-6-17(7-10-20)12-18-4-3-11-21-13-18/h5-10,18,21H,3-4,11-14H2,1-2H3
InChIKeyBMQPUWKMRPCJTM-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 95458543
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
4-(azepan-3-ylmethyl)aniline
CID 131866248
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
3-[[4-(1-methylimidazol-2-yl)phenyl]methyl]piperidine
CID 117391857
6-methyl-2-(4-methylphenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 24776104
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine?
The IUPAC name of 2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine (CID 167966541) is 2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine is Cc1ccc(COc2ccc(CC3CCCNC3)cc2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine?
The InChIKey is BMQPUWKMRPCJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15-5-8-19(16(2)22-15)14-23-20-9-6-17(7-10-20)12-18-4-3-11-21-13-18/h5-10,18,21H,3-4,11-14H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine?
2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine has a molecular weight of 310.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-[[4-(piperidin-3-ylmethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 167966541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).