1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine

C20H29N5 — CID 124758004

IUPAC1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
SMILESc1ccc(N2CCN(CCN3CCC[C@H](c4ccn[nH]4)C3)CC2)cc1
InChIInChI=1S/C20H29N5/c1-2-6-19(7-3-1)25-15-13-23(14-16-25)11-12-24-10-4-5-18(17-24)20-8-9-21-22-20/h1-3,6-9,18H,4-5,10-17H2,(H,21,22)/t18-/m0/s1
InChIKeyXKXHWXWULPHLAG-SFHVURJKSA-N
MW339.49 g/mol
LogP2.41
Rot. Bonds5

About 1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine

1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine (PubChem CID 124758004) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is 1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
PubChem CID124758004
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC Name1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
SMILESc1ccc(N2CCN(CCN3CCC[C@H](c4ccn[nH]4)C3)CC2)cc1
InChIInChI=1S/C20H29N5/c1-2-6-19(7-3-1)25-15-13-23(14-16-25)11-12-24-10-4-5-18(17-24)20-8-9-21-22-20/h1-3,6-9,18H,4-5,10-17H2,(H,21,22)/t18-/m0/s1
InChIKeyXKXHWXWULPHLAG-SFHVURJKSA-N
XLogP2.41
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 124750539
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 95845269
1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
CID 91835394
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 122139250
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 126770076
1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95760420
6-methyl-3-[2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 91829573
(3S)-1-phenyl-3-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrrolidin-2-one
CID 95763143

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine?
The IUPAC name of 1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine (CID 124758004) is 1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine?
The canonical SMILES for 1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine is c1ccc(N2CCN(CCN3CCC[C@H](c4ccn[nH]4)C3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine?
The InChIKey is XKXHWXWULPHLAG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H29N5/c1-2-6-19(7-3-1)25-15-13-23(14-16-25)11-12-24-10-4-5-18(17-24)20-8-9-21-22-20/h1-3,6-9,18H,4-5,10-17H2,(H,21,22)/t18-/m0/s1.
What are the key properties of 1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine?
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine has a molecular weight of 339.49 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine is sourced from PubChem (CID 124758004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).