2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine

C19H24N2O2 — CID 68596518

IUPAC2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine
SMILESCCOc1ccccc1O[C@H](c1ccccn1)C1CCCNC1
InChIInChI=1S/C19H24N2O2/c1-2-22-17-10-3-4-11-18(17)23-19(15-8-7-12-20-14-15)16-9-5-6-13-21-16/h3-6,9-11,13,15,19-20H,2,7-8,12,14H2,1H3/t15?,19-/m0/s1
InChIKeyHFVCTSHLHYXTCH-FUBQLUNQSA-N
MW312.41 g/mol
LogP3.60
Rot. Bonds6

About 2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine

2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine (PubChem CID 68596518) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine.

Molecular Properties

Compound Name2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine
PubChem CID68596518
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine
SMILESCCOc1ccccc1O[C@H](c1ccccn1)C1CCCNC1
InChIInChI=1S/C19H24N2O2/c1-2-22-17-10-3-4-11-18(17)23-19(15-8-7-12-20-14-15)16-9-5-6-13-21-16/h3-6,9-11,13,15,19-20H,2,7-8,12,14H2,1H3/t15?,19-/m0/s1
InChIKeyHFVCTSHLHYXTCH-FUBQLUNQSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methoxy(pyrrolidin-3-yl)methyl]pyridine;hydrochloride
CID 118342696
2-ethoxy-3-[(1S)-1-[(3S)-piperidin-3-yl]propoxy]pyridine
CID 68594922
3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
CID 68596615
3-(2-ethoxyphenoxy)piperidine;hydrochloride
CID 118366272
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637504
(2S)-2-[(S)-(2-phenylmethoxyphenoxy)-pyridin-2-ylmethyl]morpholine
CID 59166872
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
(3R)-3-[2-(2-ethoxyphenoxy)ethyl]piperidine
CID 86321016
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
CID 112565466
2-[1-[(3R)-piperidin-3-yl]oxyethyl]pyridine;hydrochloride
CID 71637869
3-(piperidin-3-ylmethoxy)-2-(2-propan-2-yloxyphenoxy)pyridine
CID 68596079

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine?
The IUPAC name of 2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine (CID 68596518) is 2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine.
What is the SMILES notation for 2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine?
The canonical SMILES for 2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine is CCOc1ccccc1O[C@H](c1ccccn1)C1CCCNC1.
What is the InChIKey of 2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine?
The InChIKey is HFVCTSHLHYXTCH-FUBQLUNQSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-22-17-10-3-4-11-18(17)23-19(15-8-7-12-20-14-15)16-9-5-6-13-21-16/h3-6,9-11,13,15,19-20H,2,7-8,12,14H2,1H3/t15?,19-/m0/s1.
What are the key properties of 2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine?
2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine has a molecular weight of 312.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-(2-ethoxyphenoxy)-piperidin-3-ylmethyl]pyridine is sourced from PubChem (CID 68596518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).