1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine

C15H23N3 — CID 171130429

IUPAC1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
SMILESc1cc(CN2CCN(CC3CCC3)CC2)ccn1
InChIInChI=1S/C15H23N3/c1-2-14(3-1)12-17-8-10-18(11-9-17)13-15-4-6-16-7-5-15/h4-7,14H,1-3,8-13H2
InChIKeyJZWZENZJDIHAID-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.00
Rot. Bonds4

About 1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine

1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine (PubChem CID 171130429) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
PubChem CID171130429
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine
SMILESc1cc(CN2CCN(CC3CCC3)CC2)ccn1
InChIInChI=1S/C15H23N3/c1-2-14(3-1)12-17-8-10-18(11-9-17)13-15-4-6-16-7-5-15/h4-7,14H,1-3,8-13H2
InChIKeyJZWZENZJDIHAID-UHFFFAOYSA-N
XLogP2.00
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
(5S)-2-(cyclobutylmethyl)-9-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895604
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
(2-hydroxycyclopentyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 110013764
4-[[3-(2-bromoethyl)piperidin-1-yl]methyl]pyridine
CID 80690340
1-(cyclopropylmethyl)-4-[(4-propylphenyl)methyl]piperazine
CID 163258700
4-[(4-ethenylpiperidin-1-yl)methyl]pyridine
CID 142137767
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 18389231
cyclohexyl-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 78798588
2-(pyridin-4-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79006299

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine (CID 171130429) is 1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine is c1cc(CN2CCN(CC3CCC3)CC2)ccn1.
What is the InChIKey of 1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine?
The InChIKey is JZWZENZJDIHAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-14(3-1)12-17-8-10-18(11-9-17)13-15-4-6-16-7-5-15/h4-7,14H,1-3,8-13H2.
What are the key properties of 1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine?
1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine has a molecular weight of 245.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 171130429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).