(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine

C21H31N3 — CID 98575835

IUPAC(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine
SMILESCC(C)Cc1cn[nH]c1[C@H]1CCCN(C[C@H](C)c2ccccc2)C1
InChIInChI=1S/C21H31N3/c1-16(2)12-20-13-22-23-21(20)19-10-7-11-24(15-19)14-17(3)18-8-5-4-6-9-18/h4-6,8-9,13,16-17,19H,7,10-12,14-15H2,1-3H3,(H,22,23)/t17-,19-/m0/s1
InChIKeyXLIYENZIUOKTLX-HKUYNNGSSA-N
MW325.50 g/mol
LogP4.59
Rot. Bonds6

About (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine

(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine (PubChem CID 98575835) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine
PubChem CID98575835
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine
SMILESCC(C)Cc1cn[nH]c1[C@H]1CCCN(C[C@H](C)c2ccccc2)C1
InChIInChI=1S/C21H31N3/c1-16(2)12-20-13-22-23-21(20)19-10-7-11-24(15-19)14-17(3)18-8-5-4-6-9-18/h4-6,8-9,13,16-17,19H,7,10-12,14-15H2,1-3H3,(H,22,23)/t17-,19-/m0/s1
InChIKeyXLIYENZIUOKTLX-HKUYNNGSSA-N
XLogP4.59
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 98760298
1-(2-methylbutyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45225311
1-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45219683
3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 126466148
4-[5-[(3S)-1-[(2R)-2-phenylpropyl]piperidin-3-yl]-1H-pyrazol-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 93240387
(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 42479587
1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45223704
(3S)-1-[(2-fluoro-4-methoxyphenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 29257242
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
CID 29256573
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
1-(2-phenylpropyl)-3-pyrrolidin-2-ylpiperidine
CID 61101148

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine?
The IUPAC name of (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine (CID 98575835) is (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine.
What is the SMILES notation for (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine?
The canonical SMILES for (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine is CC(C)Cc1cn[nH]c1[C@H]1CCCN(C[C@H](C)c2ccccc2)C1.
What is the InChIKey of (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine?
The InChIKey is XLIYENZIUOKTLX-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H31N3/c1-16(2)12-20-13-22-23-21(20)19-10-7-11-24(15-19)14-17(3)18-8-5-4-6-9-18/h4-6,8-9,13,16-17,19H,7,10-12,14-15H2,1-3H3,(H,22,23)/t17-,19-/m0/s1.
What are the key properties of (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine?
(3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine has a molecular weight of 325.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]-1-[(2R)-2-phenylpropyl]piperidine is sourced from PubChem (CID 98575835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).