(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine

C21H30N4 — CID 99932857

IUPAC(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESc1cnn(Cc2ccc(CN3CCCC[C@@H]3CN3CCCC3)cc2)c1
InChIInChI=1S/C21H30N4/c1-2-14-24(21(6-1)18-23-12-3-4-13-23)16-19-7-9-20(10-8-19)17-25-15-5-11-22-25/h5,7-11,15,21H,1-4,6,12-14,16-18H2/t21-/m1/s1
InChIKeyXXQXERPZJRMMIF-OAQYLSRUSA-N
MW338.50 g/mol
LogP3.38
Rot. Bonds6

About (2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine

(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine (PubChem CID 99932857) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is (2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
PubChem CID99932857
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
SMILESc1cnn(Cc2ccc(CN3CCCC[C@@H]3CN3CCCC3)cc2)c1
InChIInChI=1S/C21H30N4/c1-2-14-24(21(6-1)18-23-12-3-4-13-23)16-19-7-9-20(10-8-19)17-25-15-5-11-22-25/h5,7-11,15,21H,1-4,6,12-14,16-18H2/t21-/m1/s1
InChIKeyXXQXERPZJRMMIF-OAQYLSRUSA-N
XLogP3.38
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
[4-(pyrazol-1-ylmethyl)phenyl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347004
1-[[4-(difluoromethylsulfanyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 56574762
1-[[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]methyl]pyrazole
CID 95308122
N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
CID 63250287
2-[3-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 95310383
methyl (E)-3-[4-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enoate
CID 58183044
2-benzyl-5-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95331994
5-chloro-4-[[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343944
5-chloro-4-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]thiadiazole
CID 95343943
N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99945992
N,N-dimethyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 77092558

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine?
The IUPAC name of (2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine (CID 99932857) is (2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine.
What is the SMILES notation for (2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine?
The canonical SMILES for (2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine is c1cnn(Cc2ccc(CN3CCCC[C@@H]3CN3CCCC3)cc2)c1.
What is the InChIKey of (2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine?
The InChIKey is XXQXERPZJRMMIF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N4/c1-2-14-24(21(6-1)18-23-12-3-4-13-23)16-19-7-9-20(10-8-19)17-25-15-5-11-22-25/h5,7-11,15,21H,1-4,6,12-14,16-18H2/t21-/m1/s1.
What are the key properties of (2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine?
(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine has a molecular weight of 338.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine is sourced from PubChem (CID 99932857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).