1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine

C16H21N3O — CID 110096187

IUPAC1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
SMILESCOc1cccc(CN2CCCCC2c2ccn[nH]2)c1
InChIInChI=1S/C16H21N3O/c1-20-14-6-4-5-13(11-14)12-19-10-3-2-7-16(19)15-8-9-17-18-15/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H,17,18)
InChIKeyWXGPHUJYARQERT-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds4

About 1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine

1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine (PubChem CID 110096187) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
PubChem CID110096187
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine
SMILESCOc1cccc(CN2CCCCC2c2ccn[nH]2)c1
InChIInChI=1S/C16H21N3O/c1-20-14-6-4-5-13(11-14)12-19-10-3-2-7-16(19)15-8-9-17-18-15/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H,17,18)
InChIKeyWXGPHUJYARQERT-UHFFFAOYSA-N
XLogP3.15
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
4-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95844879
5-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrazole
CID 110258107
1-[(1-methylpyrrol-2-yl)methyl]-2-(1H-pyrazol-5-yl)piperidine
CID 73439904
5-ethyl-2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46955804
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
4-[(2R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3,5-trimethylpyrazole
CID 95611782
(2S)-2-(4-chloro-1-methylpyrazol-5-yl)-1-[(3-methoxyphenyl)methyl]azepane
CID 92565979
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
2-[[(2S)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 124993082
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
1-methyl-4-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrazole
CID 95841750

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine (CID 110096187) is 1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine is COc1cccc(CN2CCCCC2c2ccn[nH]2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
The InChIKey is WXGPHUJYARQERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-14-6-4-5-13(11-14)12-19-10-3-2-7-16(19)15-8-9-17-18-15/h4-6,8-9,11,16H,2-3,7,10,12H2,1H3,(H,17,18).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine?
1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine has a molecular weight of 271.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-2-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 110096187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).