5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane

C14H22N4O — CID 71091055

IUPAC5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane
SMILESc1cncc(C2NOCC(CN3CCCCC3)N2)c1
InChIInChI=1S/C14H22N4O/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12/h4-6,9,13-14,16-17H,1-3,7-8,10-11H2
InChIKeyZYNIIVWNMIOILB-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.06
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane

5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane (PubChem CID 71091055) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane
PubChem CID71091055
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane
SMILESc1cncc(C2NOCC(CN3CCCCC3)N2)c1
InChIInChI=1S/C14H22N4O/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12/h4-6,9,13-14,16-17H,1-3,7-8,10-11H2
InChIKeyZYNIIVWNMIOILB-UHFFFAOYSA-N
XLogP1.06
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine
CID 6421776
5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-5,6-dihydro-2H-1,2,4-oxadiazine;hydrobromide
CID 22466416
trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine
CID 130430329
3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine
CID 155208156
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 75792679
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
2-pyridin-3-ylpiperidin-1-amine
CID 5026347
8-(cyclopropylmethyl)-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
CID 118746332
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
2-(2-pyridin-3-yl-1,3-dioxolan-4-yl)ethanamine
CID 82125758

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane?
The IUPAC name of 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane (CID 71091055) is 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane is c1cncc(C2NOCC(CN3CCCCC3)N2)c1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane?
The InChIKey is ZYNIIVWNMIOILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12/h4-6,9,13-14,16-17H,1-3,7-8,10-11H2.
What are the key properties of 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane?
5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane has a molecular weight of 262.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-3-pyridin-3-yl-1,2,4-oxadiazinane is sourced from PubChem (CID 71091055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).