1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine

C22H32N4O — CID 77083125

IUPAC1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
SMILESCOc1ccc(CN2CCC(Cn3cccn3)CC2)cc1CN1CCCC1
InChIInChI=1S/C22H32N4O/c1-27-22-6-5-20(15-21(22)18-24-10-2-3-11-24)16-25-13-7-19(8-14-25)17-26-12-4-9-23-26/h4-6,9,12,15,19H,2-3,7-8,10-11,13-14,16-18H2,1H3
InChIKeyBEQMNIQFZVDNPR-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.40
Rot. Bonds7

About 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine

1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 77083125) has the molecular formula C22H32N4O and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID77083125
Molecular FormulaC22H32N4O
Molecular Weight368.52 g/mol
Exact Mass368.26
IUPAC Name1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
SMILESCOc1ccc(CN2CCC(Cn3cccn3)CC2)cc1CN1CCCC1
InChIInChI=1S/C22H32N4O/c1-27-22-6-5-20(15-21(22)18-24-10-2-3-11-24)16-25-13-7-19(8-14-25)17-26-12-4-9-23-26/h4-6,9,12,15,19H,2-3,7-8,10-11,13-14,16-18H2,1H3
InChIKeyBEQMNIQFZVDNPR-UHFFFAOYSA-N
XLogP3.40
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906661
1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495315
1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495314
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
CID 65338957
4-[(dimethylamino)methyl]-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56909684
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
[(3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42216012
[5-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 90650492
(3R,8aS)-2-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92603783
(3S)-3-ethyl-1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 99935983
1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46965834

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine (CID 77083125) is 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine is COc1ccc(CN2CCC(Cn3cccn3)CC2)cc1CN1CCCC1.
What is the InChIKey of 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is BEQMNIQFZVDNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-27-22-6-5-20(15-21(22)18-24-10-2-3-11-24)16-25-13-7-19(8-14-25)17-26-12-4-9-23-26/h4-6,9,12,15,19H,2-3,7-8,10-11,13-14,16-18H2,1H3.
What are the key properties of 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine?
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 368.52 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 77083125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).