3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine

C19H24N2O — CID 45267145

IUPAC3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine
SMILESCCc1ccc(OC(c2cccnc2)C2CCNCC2)cc1
InChIInChI=1S/C19H24N2O/c1-2-15-5-7-18(8-6-15)22-19(16-9-12-20-13-10-16)17-4-3-11-21-14-17/h3-8,11,14,16,19-20H,2,9-10,12-13H2,1H3
InChIKeyQHSQRSCEVZFFIU-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.76
Rot. Bonds5

About 3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine

3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine (PubChem CID 45267145) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine.

Molecular Properties

Compound Name3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine
PubChem CID45267145
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine
SMILESCCc1ccc(OC(c2cccnc2)C2CCNCC2)cc1
InChIInChI=1S/C19H24N2O/c1-2-15-5-7-18(8-6-15)22-19(16-9-12-20-13-10-16)17-4-3-11-21-14-17/h3-8,11,14,16,19-20H,2,9-10,12-13H2,1H3
InChIKeyQHSQRSCEVZFFIU-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cb-103
CID 2735289
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
2-(2-Chlorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133853
2-(Pyridin-3-ylmethoxy)aniline
CID 8027171
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine?
The IUPAC name of 3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine (CID 45267145) is 3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine.
What is the SMILES notation for 3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine?
The canonical SMILES for 3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine is CCc1ccc(OC(c2cccnc2)C2CCNCC2)cc1.
What is the InChIKey of 3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine?
The InChIKey is QHSQRSCEVZFFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-15-5-7-18(8-6-15)22-19(16-9-12-20-13-10-16)17-4-3-11-21-14-17/h3-8,11,14,16,19-20H,2,9-10,12-13H2,1H3.
What are the key properties of 3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine?
3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine has a molecular weight of 296.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenoxy)-piperidin-4-ylmethyl]pyridine is sourced from PubChem (CID 45267145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).