butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine

C18H32N4 — CID 171069945

IUPACbutane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCCCC.CN1CC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C14H22N4.C4H10/c1-16-10-13(11-16)12-17-6-8-18(9-7-17)14-4-2-3-5-15-14;1-3-4-2/h2-5,13H,6-12H2,1H3;3-4H2,1-2H3
InChIKeyCNLDIVRMLKHJHS-UHFFFAOYSA-N
MW304.48 g/mol
LogP2.57
Rot. Bonds4

About butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine

butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine (PubChem CID 171069945) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Namebutane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
PubChem CID171069945
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Namebutane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine
SMILESCCCC.CN1CC(CN2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C14H22N4.C4H10/c1-16-10-13(11-16)12-17-6-8-18(9-7-17)14-4-2-3-5-15-14;1-3-4-2/h2-5,13H,6-12H2,1H3;3-4H2,1-2H3
InChIKeyCNLDIVRMLKHJHS-UHFFFAOYSA-N
XLogP2.57
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-[(1-methylpiperidin-4-yl)methyl]-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171069831
ethane;1-methyl-4-[(1-pyridin-2-ylpiperidin-4-yl)methyl]piperazine
CID 171070111
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
5-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pentan-1-ol
CID 110923901
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
1-[[(1R,3R)-3-phenylcyclohexyl]methyl]-4-pyridin-2-ylpiperazine
CID 142637683
2-chloro-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrazine
CID 133279639
methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
CID 124721465

Frequently Asked Questions

What is the IUPAC name of butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine (CID 171069945) is butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine is CCCC.CN1CC(CN2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine?
The InChIKey is CNLDIVRMLKHJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.C4H10/c1-16-10-13(11-16)12-17-6-8-18(9-7-17)14-4-2-3-5-15-14;1-3-4-2/h2-5,13H,6-12H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine?
butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine has a molecular weight of 304.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-[(1-methylazetidin-3-yl)methyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 171069945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).