(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine

C23H27N3 — CID 42479587

IUPAC(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1[C@@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27N3/c1-18-15-24-25-23(18)21-13-8-14-26(16-21)17-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,15,21-22H,8,13-14,16-17H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyYGXZXCJXRORJAI-OAQYLSRUSA-N
MW345.49 g/mol
LogP4.73
Rot. Bonds5

About (3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine

(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine (PubChem CID 42479587) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is (3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
PubChem CID42479587
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
SMILESCc1cn[nH]c1[C@@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H27N3/c1-18-15-24-25-23(18)21-13-8-14-26(16-21)17-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,15,21-22H,8,13-14,16-17H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyYGXZXCJXRORJAI-OAQYLSRUSA-N
XLogP4.73
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 98760298
5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
CID 125009924
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine
CID 98575835
1-cyclohexyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110269139
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 125026679
3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124973675
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95844793
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
5-cycloundecyl-4-methyl-1H-pyrazole
CID 173176811

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine (CID 42479587) is (3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine is Cc1cn[nH]c1[C@@H]1CCCN(CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
The InChIKey is YGXZXCJXRORJAI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3/c1-18-15-24-25-23(18)21-13-8-14-26(16-21)17-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,15,21-22H,8,13-14,16-17H2,1H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine?
(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine has a molecular weight of 345.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 42479587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).