1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine

C22H33N5 — CID 91831285

IUPAC1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
SMILESc1ccc(N2CCN(CCN3CCC(CCn4cccn4)CC3)CC2)cc1
InChIInChI=1S/C22H33N5/c1-2-5-22(6-3-1)26-19-17-25(18-20-26)16-15-24-12-7-21(8-13-24)9-14-27-11-4-10-23-27/h1-6,10-11,21H,7-9,12-20H2
InChIKeyMVOGAGHHIPUZOJ-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.81
Rot. Bonds7

About 1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine

1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine (PubChem CID 91831285) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
PubChem CID91831285
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
SMILESc1ccc(N2CCN(CCN3CCC(CCn4cccn4)CC3)CC2)cc1
InChIInChI=1S/C22H33N5/c1-2-5-22(6-3-1)26-19-17-25(18-20-26)16-15-24-12-7-21(8-13-24)9-14-27-11-4-10-23-27/h1-6,10-11,21H,7-9,12-20H2
InChIKeyMVOGAGHHIPUZOJ-UHFFFAOYSA-N
XLogP2.81
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3S)-3-benzylpyrrolidin-1-yl]ethyl]pyrazole
CID 124607305
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine
CID 171069708
1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine
CID 143388333
1-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-4-(2-pyrazol-1-ylethyl)piperidine
CID 70727682
1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine
CID 118789531
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70788820
1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine
CID 171355756
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
(1R,6S)-9-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 91839382
4-[1-[1-[2-(4-phenylpiperazin-1-yl)ethyl]piperidin-4-yl]ethyl]morpholine
CID 118789031

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine?
The IUPAC name of 1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine (CID 91831285) is 1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine?
The canonical SMILES for 1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine is c1ccc(N2CCN(CCN3CCC(CCn4cccn4)CC3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine?
The InChIKey is MVOGAGHHIPUZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-2-5-22(6-3-1)26-19-17-25(18-20-26)16-15-24-12-7-21(8-13-24)9-14-27-11-4-10-23-27/h1-6,10-11,21H,7-9,12-20H2.
What are the key properties of 1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine?
1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine has a molecular weight of 367.54 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine is sourced from PubChem (CID 91831285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).