1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine

C28H36N6 — CID 132515507

IUPAC1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
SMILESc1cc(CN2CCN(Cc3ccc(CN4CCN(Cc5ccncc5)CC4)cc3)CC2)ccn1
InChIInChI=1S/C28H36N6/c1-2-26(22-32-15-19-34(20-16-32)24-28-7-11-30-12-8-28)4-3-25(1)21-31-13-17-33(18-14-31)23-27-5-9-29-10-6-27/h1-12H,13-24H2
InChIKeySFBKXYZXNWFRIK-UHFFFAOYSA-N
MW456.64 g/mol
LogP3.11
Rot. Bonds8

About 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine

1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine (PubChem CID 132515507) has the molecular formula C28H36N6 and a molecular weight of 456.64 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
PubChem CID132515507
Molecular FormulaC28H36N6
Molecular Weight456.64 g/mol
Exact Mass456.30
IUPAC Name1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
SMILESc1cc(CN2CCN(Cc3ccc(CN4CCN(Cc5ccncc5)CC4)cc3)CC2)ccn1
InChIInChI=1S/C28H36N6/c1-2-26(22-32-15-19-34(20-16-32)24-28-7-11-30-12-8-28)4-3-25(1)21-31-13-17-33(18-14-31)23-27-5-9-29-10-6-27/h1-12H,13-24H2
InChIKeySFBKXYZXNWFRIK-UHFFFAOYSA-N
XLogP3.11
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.64
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine with MolForge

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Related Compounds

1-(pyridin-4-ylmethyl)piperidin-4-one
CID 10997815
1-[(3-bromo-4-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 86785782
1-[(4-butoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112798075
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 60953087
2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823811
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1131781
2,2-difluoro-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 103515239
1-[(2,3-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 75470128
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 143992061

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine?
The IUPAC name of 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine (CID 132515507) is 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine is c1cc(CN2CCN(Cc3ccc(CN4CCN(Cc5ccncc5)CC4)cc3)CC2)ccn1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine?
The InChIKey is SFBKXYZXNWFRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6/c1-2-26(22-32-15-19-34(20-16-32)24-28-7-11-30-12-8-28)4-3-25(1)21-31-13-17-33(18-14-31)23-27-5-9-29-10-6-27/h1-12H,13-24H2.
What are the key properties of 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine?
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine has a molecular weight of 456.64 g/mol, XLogP of 3.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine is sourced from PubChem (CID 132515507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).