3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine

C22H26N4O — CID 95722499

IUPAC3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESc1cncc(CO[C@H]2CCCN(Cc3cccc(Cn4cccn4)c3)C2)c1
InChIInChI=1S/C22H26N4O/c1-5-19(13-20(6-1)16-26-12-4-10-24-26)15-25-11-3-8-22(17-25)27-18-21-7-2-9-23-14-21/h1-2,4-7,9-10,12-14,22H,3,8,11,15-18H2/t22-/m0/s1
InChIKeyKVZIZXGLFQRAOO-QFIPXVFZSA-N
MW362.48 g/mol
LogP3.51
Rot. Bonds7

About 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine

3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine (PubChem CID 95722499) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
PubChem CID95722499
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine
SMILESc1cncc(CO[C@H]2CCCN(Cc3cccc(Cn4cccn4)c3)C2)c1
InChIInChI=1S/C22H26N4O/c1-5-19(13-20(6-1)16-26-12-4-10-24-26)15-25-11-3-8-22(17-25)27-18-21-7-2-9-23-14-21/h1-2,4-7,9-10,12-14,22H,3,8,11,15-18H2/t22-/m0/s1
InChIKeyKVZIZXGLFQRAOO-QFIPXVFZSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine with MolForge

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Related Compounds

5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzothiadiazole
CID 95714362
5-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 56907304
2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231
2-[4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenyl]pyridine
CID 56909379
N,N-dimethyl-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyridin-2-amine
CID 95714836
3-[[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56913051
2-chloro-6-methoxy-4-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenol
CID 56885233
3-[[1-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 77093463
4-chloro-N,N-dimethyl-5-[[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 95718512
5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
CID 56711543
4-chloro-1-methyl-3-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]indazole
CID 95714091
1-[[4-(cyclobutyloxymethyl)phenyl]methyl]pyrazole
CID 141170968

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine (CID 95722499) is 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine is c1cncc(CO[C@H]2CCCN(Cc3cccc(Cn4cccn4)c3)C2)c1.
What is the InChIKey of 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine?
The InChIKey is KVZIZXGLFQRAOO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N4O/c1-5-19(13-20(6-1)16-26-12-4-10-24-26)15-25-11-3-8-22(17-25)27-18-21-7-2-9-23-14-21/h1-2,4-7,9-10,12-14,22H,3,8,11,15-18H2/t22-/m0/s1.
What are the key properties of 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine?
3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine has a molecular weight of 362.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]oxymethyl]pyridine is sourced from PubChem (CID 95722499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).