1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine

C19H31N5 — CID 174314011

IUPAC1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine
SMILESCc1ccc(N2CC(CN3CCN(C4CCNCC4)CC3)C2)nc1
InChIInChI=1S/C19H31N5/c1-16-2-3-19(21-12-16)24-14-17(15-24)13-22-8-10-23(11-9-22)18-4-6-20-7-5-18/h2-3,12,17-18,20H,4-11,13-15H2,1H3
InChIKeyATIPOLHZHFSDJW-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.20
Rot. Bonds4

About 1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine

1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine (PubChem CID 174314011) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine.

Molecular Properties

Compound Name1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine
PubChem CID174314011
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine
SMILESCc1ccc(N2CC(CN3CCN(C4CCNCC4)CC3)C2)nc1
InChIInChI=1S/C19H31N5/c1-16-2-3-19(21-12-16)24-14-17(15-24)13-22-8-10-23(11-9-22)18-4-6-20-7-5-18/h2-3,12,17-18,20H,4-11,13-15H2,1H3
InChIKeyATIPOLHZHFSDJW-UHFFFAOYSA-N
XLogP1.20
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine?
The IUPAC name of 1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine (CID 174314011) is 1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine.
What is the SMILES notation for 1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine?
The canonical SMILES for 1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine is Cc1ccc(N2CC(CN3CCN(C4CCNCC4)CC3)C2)nc1.
What is the InChIKey of 1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine?
The InChIKey is ATIPOLHZHFSDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-16-2-3-19(21-12-16)24-14-17(15-24)13-22-8-10-23(11-9-22)18-4-6-20-7-5-18/h2-3,12,17-18,20H,4-11,13-15H2,1H3.
What are the key properties of 1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine?
1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine has a molecular weight of 329.49 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-methyl-2-pyridinyl)azetidin-3-yl]methyl]-4-piperidin-4-ylpiperazine is sourced from PubChem (CID 174314011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).