4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine

C22H32N4 — CID 45218314

IUPAC4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine
SMILESCc1cc(CN2CCC(C3CCN(CCc4ccccc4)CC3)C2)n[nH]1
InChIInChI=1S/C22H32N4/c1-18-15-22(24-23-18)17-26-14-10-21(16-26)20-8-12-25(13-9-20)11-7-19-5-3-2-4-6-19/h2-6,15,20-21H,7-14,16-17H2,1H3,(H,23,24)
InChIKeyWWDMHFFWLDGIAA-UHFFFAOYSA-N
MW352.53 g/mol
LogP3.49
Rot. Bonds6

About 4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine

4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine (PubChem CID 45218314) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine
PubChem CID45218314
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine
SMILESCc1cc(CN2CCC(C3CCN(CCc4ccccc4)CC3)C2)n[nH]1
InChIInChI=1S/C22H32N4/c1-18-15-22(24-23-18)17-26-14-10-21(16-26)20-8-12-25(13-9-20)11-7-19-5-3-2-4-6-19/h2-6,15,20-21H,7-14,16-17H2,1H3,(H,23,24)
InChIKeyWWDMHFFWLDGIAA-UHFFFAOYSA-N
XLogP3.49
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine?
The IUPAC name of 4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine (CID 45218314) is 4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine?
The canonical SMILES for 4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine is Cc1cc(CN2CCC(C3CCN(CCc4ccccc4)CC3)C2)n[nH]1.
What is the InChIKey of 4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine?
The InChIKey is WWDMHFFWLDGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4/c1-18-15-22(24-23-18)17-26-14-10-21(16-26)20-8-12-25(13-9-20)11-7-19-5-3-2-4-6-19/h2-6,15,20-21H,7-14,16-17H2,1H3,(H,23,24).
What are the key properties of 4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine?
4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine has a molecular weight of 352.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 45218314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).