1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine

C18H25N3O2 — CID 75439131

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine
SMILESCOc1cc(CN2CCC(c3ccnn3C)CC2)cc(OC)c1
InChIInChI=1S/C18H25N3O2/c1-20-18(4-7-19-20)15-5-8-21(9-6-15)13-14-10-16(22-2)12-17(11-14)23-3/h4,7,10-12,15H,5-6,8-9,13H2,1-3H3
InChIKeyNBCQSVBCHZLXBR-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.82
Rot. Bonds5

About 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine

1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine (PubChem CID 75439131) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine
PubChem CID75439131
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine
SMILESCOc1cc(CN2CCC(c3ccnn3C)CC2)cc(OC)c1
InChIInChI=1S/C18H25N3O2/c1-20-18(4-7-19-20)15-5-8-21(9-6-15)13-14-10-16(22-2)12-17(11-14)23-3/h4,7,10-12,15H,5-6,8-9,13H2,1-3H3
InChIKeyNBCQSVBCHZLXBR-UHFFFAOYSA-N
XLogP2.82
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzonitrile
CID 51104304
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104314
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119041063
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
CID 81148745
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 146131833
5-[(4-methoxyphenyl)methyl]-2-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-4-yl]pyridine
CID 92616703
5-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-3-(4-methylsulfonylphenyl)-1,2,4-oxadiazole
CID 24731548
3-methoxy-5-[(4-methylsulfanylpiperidin-1-yl)methyl]aniline
CID 114236550
7-methyl-2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104341
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine (CID 75439131) is 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine is COc1cc(CN2CCC(c3ccnn3C)CC2)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine?
The InChIKey is NBCQSVBCHZLXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-18(4-7-19-20)15-5-8-21(9-6-15)13-14-10-16(22-2)12-17(11-14)23-3/h4,7,10-12,15H,5-6,8-9,13H2,1-3H3.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine?
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine has a molecular weight of 315.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 75439131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).