2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine

C22H26N4O — CID 95726729

IUPAC2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine
SMILESc1ccc([C@@H]2CCCCN2Cc2ccccc2OCCn2ccnc2)nc1
InChIInChI=1S/C22H26N4O/c1-2-10-22(27-16-15-25-14-12-23-18-25)19(7-1)17-26-13-6-4-9-21(26)20-8-3-5-11-24-20/h1-3,5,7-8,10-12,14,18,21H,4,6,9,13,15-17H2/t21-/m0/s1
InChIKeySHFUUFJBDGCHHJ-NRFANRHFSA-N
MW362.48 g/mol
LogP4.08
Rot. Bonds7

About 2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine

2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine (PubChem CID 95726729) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine
PubChem CID95726729
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine
SMILESc1ccc([C@@H]2CCCCN2Cc2ccccc2OCCn2ccnc2)nc1
InChIInChI=1S/C22H26N4O/c1-2-10-22(27-16-15-25-14-12-23-18-25)19(7-1)17-26-13-6-4-9-21(26)20-8-3-5-11-24-20/h1-3,5,7-8,10-12,14,18,21H,4,6,9,13,15-17H2/t21-/m0/s1
InChIKeySHFUUFJBDGCHHJ-NRFANRHFSA-N
XLogP4.08
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(oxan-4-yl)piperazine
CID 77080171
2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 91838335
2-(2-imidazol-1-ylethyl)-1-(2-phenoxyethyl)piperidine
CID 23202756
2-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzoic acid
CID 95200148
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane
CID 131941591
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
N-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-N-methyl-1-[(2S)-oxan-2-yl]methanamine
CID 99941471
2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine
CID 56914339
3-[(2S)-1-[(2-prop-2-enoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2254096
(1S,8R)-9-[[2-(4-imidazol-1-ylbutoxy)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155508518

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine?
The IUPAC name of 2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine (CID 95726729) is 2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine is c1ccc([C@@H]2CCCCN2Cc2ccccc2OCCn2ccnc2)nc1.
What is the InChIKey of 2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine?
The InChIKey is SHFUUFJBDGCHHJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N4O/c1-2-10-22(27-16-15-25-14-12-23-18-25)19(7-1)17-26-13-6-4-9-21(26)20-8-3-5-11-24-20/h1-3,5,7-8,10-12,14,18,21H,4,6,9,13,15-17H2/t21-/m0/s1.
What are the key properties of 2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine?
2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine has a molecular weight of 362.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 95726729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).