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

C20H29N3 — CID 98760298

IUPAC(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cn[nH]c1[C@H]1CCCN(C[C@H](C)c2ccccc2)C1
InChIInChI=1S/C20H29N3/c1-15(2)19-12-21-22-20(19)18-10-7-11-23(14-18)13-16(3)17-8-5-4-6-9-17/h4-6,8-9,12,15-16,18H,7,10-11,13-14H2,1-3H3,(H,21,22)/t16-,18-/m0/s1
InChIKeyVVOZPRDRWVBYSI-WMZOPIPTSA-N
MW311.47 g/mol
LogP4.52
Rot. Bonds5

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

(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine (PubChem CID 98760298) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is (3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
PubChem CID98760298
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine
SMILESCC(C)c1cn[nH]c1[C@H]1CCCN(C[C@H](C)c2ccccc2)C1
InChIInChI=1S/C20H29N3/c1-15(2)19-12-21-22-20(19)18-10-7-11-23(14-18)13-16(3)17-8-5-4-6-9-17/h4-6,8-9,12,15-16,18H,7,10-11,13-14H2,1-3H3,(H,21,22)/t16-,18-/m0/s1
InChIKeyVVOZPRDRWVBYSI-WMZOPIPTSA-N
XLogP4.52
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine (CID 98760298) is (3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine is CC(C)c1cn[nH]c1[C@H]1CCCN(C[C@H](C)c2ccccc2)C1.
What is the InChIKey of (3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
The InChIKey is VVOZPRDRWVBYSI-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H29N3/c1-15(2)19-12-21-22-20(19)18-10-7-11-23(14-18)13-16(3)17-8-5-4-6-9-17/h4-6,8-9,12,15-16,18H,7,10-11,13-14H2,1-3H3,(H,21,22)/t16-,18-/m0/s1.
What are the key properties of (3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine?
(3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine has a molecular weight of 311.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-2-phenylpropyl]-3-(4-propan-2-yl-1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 98760298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).