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

C22H29N3O — CID 112844466

IUPAC1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESc1cc(CN2CCN(Cc3ccncc3)CC2)cc(OC2CCCC2)c1
InChIInChI=1S/C22H29N3O/c1-2-6-21(5-1)26-22-7-3-4-20(16-22)18-25-14-12-24(13-15-25)17-19-8-10-23-11-9-19/h3-4,7-11,16,21H,1-2,5-6,12-15,17-18H2
InChIKeyXFNLDPRBIVQDBJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.72
Rot. Bonds6

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

1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 112844466) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
PubChem CID112844466
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESc1cc(CN2CCN(Cc3ccncc3)CC2)cc(OC2CCCC2)c1
InChIInChI=1S/C22H29N3O/c1-2-6-21(5-1)26-22-7-3-4-20(16-22)18-25-14-12-24(13-15-25)17-19-8-10-23-11-9-19/h3-4,7-11,16,21H,1-2,5-6,12-15,17-18H2
InChIKeyXFNLDPRBIVQDBJ-UHFFFAOYSA-N
XLogP3.72
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 99959391
1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910845
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 77081003
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77086173
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 154793860
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
7-[(3-cyclopentyloxyphenyl)methyl]-3-[(2R)-piperidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 95834003
3-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826452
3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol
CID 143380555
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine (CID 112844466) is 1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine is c1cc(CN2CCN(Cc3ccncc3)CC2)cc(OC2CCCC2)c1.
What is the InChIKey of 1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is XFNLDPRBIVQDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-2-6-21(5-1)26-22-7-3-4-20(16-22)18-25-14-12-24(13-15-25)17-19-8-10-23-11-9-19/h3-4,7-11,16,21H,1-2,5-6,12-15,17-18H2.
What are the key properties of 1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine?
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 351.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 112844466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).