(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine

C17H23N3O — CID 95844793

IUPAC(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCOc1ccc(CN2CCC[C@@H](c3[nH]ncc3C)C2)cc1
InChIInChI=1S/C17H23N3O/c1-13-10-18-19-17(13)15-4-3-9-20(12-15)11-14-5-7-16(21-2)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyLPLKCXAXGOXJEN-OAHLLOKOSA-N
MW285.39 g/mol
LogP3.11
Rot. Bonds4

About (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine

(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 95844793) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID95844793
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCOc1ccc(CN2CCC[C@@H](c3[nH]ncc3C)C2)cc1
InChIInChI=1S/C17H23N3O/c1-13-10-18-19-17(13)15-4-3-9-20(12-15)11-14-5-7-16(21-2)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,18,19)/t15-/m1/s1
InChIKeyLPLKCXAXGOXJEN-OAHLLOKOSA-N
XLogP3.11
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 95846027
(3R)-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-methoxyphenyl)methyl]piperidine
CID 42210375
5-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 110256906
5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
CID 125009924
3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 125026679
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124973675
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(4-ethoxyphenyl)methyl]piperidine
CID 45194059
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 42479587
(3R)-3-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 26350738

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 95844793) is (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine is COc1ccc(CN2CCC[C@@H](c3[nH]ncc3C)C2)cc1.
What is the InChIKey of (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is LPLKCXAXGOXJEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-10-18-19-17(13)15-4-3-9-20(12-15)11-14-5-7-16(21-2)8-6-14/h5-8,10,15H,3-4,9,11-12H2,1-2H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 285.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 95844793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).