(3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol

C27H35N5O2 — CID 129459942

IUPAC(3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol
SMILESO[C@]1(CN2CCN(c3ccccc3)CC2)CCN(Cc2ccc(OCCn3cccn3)cc2)C1
InChIInChI=1S/C27H35N5O2/c33-27(22-29-15-17-31(18-16-29)25-5-2-1-3-6-25)11-14-30(23-27)21-24-7-9-26(10-8-24)34-20-19-32-13-4-12-28-32/h1-10,12-13,33H,11,14-23H2/t27-/m0/s1
InChIKeyZFDNVPGVYFVORX-MHZLTWQESA-N
MW461.61 g/mol
LogP2.72
Rot. Bonds9

About (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol

(3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 129459942) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol
PubChem CID129459942
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC Name(3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol
SMILESO[C@]1(CN2CCN(c3ccccc3)CC2)CCN(Cc2ccc(OCCn3cccn3)cc2)C1
InChIInChI=1S/C27H35N5O2/c33-27(22-29-15-17-31(18-16-29)25-5-2-1-3-6-25)11-14-30(23-27)21-24-7-9-26(10-8-24)34-20-19-32-13-4-12-28-32/h1-10,12-13,33H,11,14-23H2/t27-/m0/s1
InChIKeyZFDNVPGVYFVORX-MHZLTWQESA-N
XLogP2.72
TPSA57.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

(3S)-1-[[4-(2-fluoroethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 129458541
2-[4-[[(3S)-3-hydroxy-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 129460105
3-(phenoxymethyl)-1-[[4-(3-pyrazol-1-ylpropoxy)phenyl]methyl]piperidin-3-ol
CID 132772135
1-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 132780793
(3S)-3-(hydroxymethyl)-1-[[4-(2-phenylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 99957922
3-[(4,4-difluoropiperidin-1-yl)methyl]-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 132772030
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
2-[4-[[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 132778983
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol
CID 132779508
1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
CID 155537825
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129455927

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol (CID 129459942) is (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol is O[C@]1(CN2CCN(c3ccccc3)CC2)CCN(Cc2ccc(OCCn3cccn3)cc2)C1.
What is the InChIKey of (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is ZFDNVPGVYFVORX-MHZLTWQESA-N. The full InChI is InChI=1S/C27H35N5O2/c33-27(22-29-15-17-31(18-16-29)25-5-2-1-3-6-25)11-14-30(23-27)21-24-7-9-26(10-8-24)34-20-19-32-13-4-12-28-32/h1-10,12-13,33H,11,14-23H2/t27-/m0/s1.
What are the key properties of (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol?
(3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 461.61 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-phenylpiperazin-1-yl)methyl]-1-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 129459942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).