1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine

C21H27N3 — CID 46963018

IUPAC1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESCc1ccc(C2(CN3CCN(Cc4cccnc4)CC3)CC2)cc1
InChIInChI=1S/C21H27N3/c1-18-4-6-20(7-5-18)21(8-9-21)17-24-13-11-23(12-14-24)16-19-3-2-10-22-15-19/h2-7,10,15H,8-9,11-14,16-17H2,1H3
InChIKeyYKETZPRTMFLXGN-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.24
Rot. Bonds5

About 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 46963018) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine
PubChem CID46963018
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine
SMILESCc1ccc(C2(CN3CCN(Cc4cccnc4)CC3)CC2)cc1
InChIInChI=1S/C21H27N3/c1-18-4-6-20(7-5-18)21(8-9-21)17-24-13-11-23(12-14-24)16-19-3-2-10-22-15-19/h2-7,10,15H,8-9,11-14,16-17H2,1H3
InChIKeyYKETZPRTMFLXGN-UHFFFAOYSA-N
XLogP3.24
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 171667242
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-[4-(4-methylphenyl)sulfanyloxyphenyl]-4-(pyridin-3-ylmethyl)piperazine
CID 145113230
[1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 56818478
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine
CID 92589587
2-methyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-2-ol
CID 63104400
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662
1-[[(3S)-3-(3-fluorophenyl)oxolan-3-yl]methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane
CID 30705120

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine (CID 46963018) is 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine is Cc1ccc(C2(CN3CCN(Cc4cccnc4)CC3)CC2)cc1.
What is the InChIKey of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is YKETZPRTMFLXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3/c1-18-4-6-20(7-5-18)21(8-9-21)17-24-13-11-23(12-14-24)16-19-3-2-10-22-15-19/h2-7,10,15H,8-9,11-14,16-17H2,1H3.
What are the key properties of 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine?
1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 321.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 46963018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).