(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine

C20H29N3O — CID 95889064

IUPAC(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine
SMILESCCn1cc(CN2CCC[C@@H](COc3cccc(C)c3)C2)c(C)n1
InChIInChI=1S/C20H29N3O/c1-4-23-14-19(17(3)21-23)13-22-10-6-8-18(12-22)15-24-20-9-5-7-16(2)11-20/h5,7,9,11,14,18H,4,6,8,10,12-13,15H2,1-3H3/t18-/m1/s1
InChIKeyGTHRSONEBHVHOT-GOSISDBHSA-N
MW327.47 g/mol
LogP3.81
Rot. Bonds6

About (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine

(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine (PubChem CID 95889064) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine
PubChem CID95889064
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine
SMILESCCn1cc(CN2CCC[C@@H](COc3cccc(C)c3)C2)c(C)n1
InChIInChI=1S/C20H29N3O/c1-4-23-14-19(17(3)21-23)13-22-10-6-8-18(12-22)15-24-20-9-5-7-16(2)11-20/h5,7,9,11,14,18H,4,6,8,10,12-13,15H2,1-3H3/t18-/m1/s1
InChIKeyGTHRSONEBHVHOT-GOSISDBHSA-N
XLogP3.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine with MolForge

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Related Compounds

[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
2-[[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 95126453
2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 77089209
2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589874
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
2-[[3-[(3-hydroxyphenoxy)methyl]piperidin-1-yl]methyl]phenol
CID 58737652
2-[[1-[(3-methylphenyl)methyl]piperidin-3-yl]methoxy]pyrazine
CID 163355049
ethyl 3-[(3-methylphenoxy)methyl]piperidine-1-carboxylate
CID 110638519
5-methyl-4-[[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
CID 45202868
1-[(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 29255553
2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine
CID 95814383
3-methyl-1-(4-methylphenyl)-4-[[3-(phenoxymethyl)azetidin-1-yl]methyl]pyrazole
CID 166398369

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine?
The IUPAC name of (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine (CID 95889064) is (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine?
The canonical SMILES for (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine is CCn1cc(CN2CCC[C@@H](COc3cccc(C)c3)C2)c(C)n1.
What is the InChIKey of (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine?
The InChIKey is GTHRSONEBHVHOT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-23-14-19(17(3)21-23)13-22-10-6-8-18(12-22)15-24-20-9-5-7-16(2)11-20/h5,7,9,11,14,18H,4,6,8,10,12-13,15H2,1-3H3/t18-/m1/s1.
What are the key properties of (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine?
(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine has a molecular weight of 327.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine is sourced from PubChem (CID 95889064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).