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

C19H26N4 — CID 100627363

IUPAC1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESCc1ccncc1CCCN1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H26N4/c1-17-4-7-21-15-19(17)3-2-10-22-11-13-23(14-12-22)16-18-5-8-20-9-6-18/h4-9,15H,2-3,10-14,16H2,1H3
InChIKeyIFAGATHXZDXYSZ-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.54
Rot. Bonds6

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

1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 100627363) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine
PubChem CID100627363
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine
SMILESCc1ccncc1CCCN1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C19H26N4/c1-17-4-7-21-15-19(17)3-2-10-22-11-13-23(14-12-22)16-18-5-8-20-9-6-18/h4-9,15H,2-3,10-14,16H2,1H3
InChIKeyIFAGATHXZDXYSZ-UHFFFAOYSA-N
XLogP2.54
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 79002283
3-(2-chloroethyl)-4-methylpyridine
CID 65438533
1-[3-(3,4,5-trimethylphenyl)propyl]-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037199
3-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methylpyridine
CID 175088165
1-[(3-bromo-4-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 86785782
tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate
CID 172908006
1-[(2,4-difluorophenyl)methyl]-4-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 171334559
1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037195
4-[3-(4-ethynyl-3-pyridinyl)propyl]morpholine
CID 142566582
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
CID 171130429
N-ethyl-3-(4-methyl-3-pyridinyl)propan-1-amine
CID 66272322

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine (CID 100627363) is 1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine is Cc1ccncc1CCCN1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is IFAGATHXZDXYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-17-4-7-21-15-19(17)3-2-10-22-11-13-23(14-12-22)16-18-5-8-20-9-6-18/h4-9,15H,2-3,10-14,16H2,1H3.
What are the key properties of 1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine?
1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 310.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-3-pyridinyl)propyl]-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 100627363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).