1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine

C22H33N5 — CID 99945758

IUPAC1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
SMILESCc1ccc(-c2[nH]ncc2CN2CCC[C@@H](CN3CCN(C)CC3)C2)cc1
InChIInChI=1S/C22H33N5/c1-18-5-7-20(8-6-18)22-21(14-23-24-22)17-27-9-3-4-19(16-27)15-26-12-10-25(2)11-13-26/h5-8,14,19H,3-4,9-13,15-17H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyGZUGFCQEBJOBMZ-IBGZPJMESA-N
MW367.54 g/mol
LogP2.84
Rot. Bonds5

About 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine

1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine (PubChem CID 99945758) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
PubChem CID99945758
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine
SMILESCc1ccc(-c2[nH]ncc2CN2CCC[C@@H](CN3CCN(C)CC3)C2)cc1
InChIInChI=1S/C22H33N5/c1-18-5-7-20(8-6-18)22-21(14-23-24-22)17-27-9-3-4-19(16-27)15-26-12-10-25(2)11-13-26/h5-8,14,19H,3-4,9-13,15-17H2,1-2H3,(H,23,24)/t19-/m0/s1
InChIKeyGZUGFCQEBJOBMZ-IBGZPJMESA-N
XLogP2.84
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine with MolForge

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Related Compounds

4-[[(3S)-1-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]morpholine
CID 126812568
[1-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836831
2-[4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 110882554
[(3S,5R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)piperidin-3-yl]methanol
CID 70719647
1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine
CID 77081012
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine
CID 166194627
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole
CID 45209601
(1S,5R)-3-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 77089415
ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41315370
N-cyclopropyl-3-[(3R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]propanamide
CID 42514353
ethyl (3R)-1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41244131
4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74246201

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine (CID 99945758) is 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine is Cc1ccc(-c2[nH]ncc2CN2CCC[C@@H](CN3CCN(C)CC3)C2)cc1.
What is the InChIKey of 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine?
The InChIKey is GZUGFCQEBJOBMZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33N5/c1-18-5-7-20(8-6-18)22-21(14-23-24-22)17-27-9-3-4-19(16-27)15-26-12-10-25(2)11-13-26/h5-8,14,19H,3-4,9-13,15-17H2,1-2H3,(H,23,24)/t19-/m0/s1.
What are the key properties of 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine?
1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine has a molecular weight of 367.54 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methyl]piperazine is sourced from PubChem (CID 99945758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).