1-(6-piperidin-1-ylpyrimidin-4-yl)azepane

C15H24N4 — CID 112856077

IUPAC1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
SMILESc1nc(N2CCCCCC2)cc(N2CCCCC2)n1
InChIInChI=1S/C15H24N4/c1-2-5-9-18(8-4-1)14-12-15(17-13-16-14)19-10-6-3-7-11-19/h12-13H,1-11H2
InChIKeyXZBYNUMKYZGATQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds2

About 1-(6-piperidin-1-ylpyrimidin-4-yl)azepane

1-(6-piperidin-1-ylpyrimidin-4-yl)azepane (PubChem CID 112856077) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(6-piperidin-1-ylpyrimidin-4-yl)azepane.

Molecular Properties

Compound Name1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
PubChem CID112856077
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
SMILESc1nc(N2CCCCCC2)cc(N2CCCCC2)n1
InChIInChI=1S/C15H24N4/c1-2-5-9-18(8-4-1)14-12-15(17-13-16-14)19-10-6-3-7-11-19/h12-13H,1-11H2
InChIKeyXZBYNUMKYZGATQ-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-piperidin-1-ylpyrimidin-4-yl)azetidin-3-amine
CID 174573496
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 133323337
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402
[6-(azepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80927859
4-(4-but-3-ynylpiperazin-1-yl)-6-piperidin-1-ylpyrimidine
CID 133453675
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 133297534
(2R)-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94074788
1-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]azepane
CID 112862175
3-methyl-6-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122282433
4-(chloromethyl)-6-pyrrolidin-1-ylpyrimidine;hydrochloride
CID 21245788

Frequently Asked Questions

What is the IUPAC name of 1-(6-piperidin-1-ylpyrimidin-4-yl)azepane?
The IUPAC name of 1-(6-piperidin-1-ylpyrimidin-4-yl)azepane (CID 112856077) is 1-(6-piperidin-1-ylpyrimidin-4-yl)azepane.
What is the SMILES notation for 1-(6-piperidin-1-ylpyrimidin-4-yl)azepane?
The canonical SMILES for 1-(6-piperidin-1-ylpyrimidin-4-yl)azepane is c1nc(N2CCCCCC2)cc(N2CCCCC2)n1.
What is the InChIKey of 1-(6-piperidin-1-ylpyrimidin-4-yl)azepane?
The InChIKey is XZBYNUMKYZGATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-5-9-18(8-4-1)14-12-15(17-13-16-14)19-10-6-3-7-11-19/h12-13H,1-11H2.
What are the key properties of 1-(6-piperidin-1-ylpyrimidin-4-yl)azepane?
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane has a molecular weight of 260.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-piperidin-1-ylpyrimidin-4-yl)azepane is sourced from PubChem (CID 112856077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).