3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine

C20H24N2O — CID 2254096

IUPAC3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine
SMILESC=CCOc1ccccc1CN1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C20H24N2O/c1-2-14-23-20-11-4-3-8-18(20)16-22-13-6-5-10-19(22)17-9-7-12-21-15-17/h2-4,7-9,11-12,15,19H,1,5-6,10,13-14,16H2/t19-/m0/s1
InChIKeyCCLKIQJKLZBBTM-IBGZPJMESA-N
MW308.43 g/mol
LogP4.37
Rot. Bonds6

About 3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine

3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine (PubChem CID 2254096) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine
PubChem CID2254096
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine
SMILESC=CCOc1ccccc1CN1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C20H24N2O/c1-2-14-23-20-11-4-3-8-18(20)16-22-13-6-5-10-19(22)17-9-7-12-21-15-17/h2-4,7-9,11-12,15,19H,1,5-6,10,13-14,16H2/t19-/m0/s1
InChIKeyCCLKIQJKLZBBTM-IBGZPJMESA-N
XLogP4.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
3-[(2R)-1-[2-(4-methoxy-2-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine
CID 40805651
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2,4-diiodo-6-[(2-pyridin-3-ylpiperidin-1-yl)methyl]phenol
CID 2857406
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857
3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2857341
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
3-(phenoxymethyl)-5-[(2-pyridin-3-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 45197802

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine (CID 2254096) is 3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine is C=CCOc1ccccc1CN1CCCC[C@H]1c1cccnc1.
What is the InChIKey of 3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine?
The InChIKey is CCLKIQJKLZBBTM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-14-23-20-11-4-3-8-18(20)16-22-13-6-5-10-19(22)17-9-7-12-21-15-17/h2-4,7-9,11-12,15,19H,1,5-6,10,13-14,16H2/t19-/m0/s1.
What are the key properties of 3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine?
3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine has a molecular weight of 308.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 2254096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).