1-(1,4-dioxepan-6-yl)piperidin-3-amine

C10H20N2O2 — CID 130559661

IUPAC1-(1,4-dioxepan-6-yl)piperidin-3-amine
SMILESNC1CCCN(C2COCCOC2)C1
InChIInChI=1S/C10H20N2O2/c11-9-2-1-3-12(6-9)10-7-13-4-5-14-8-10/h9-10H,1-8,11H2
InChIKeyOVPZPSZPRZPQJW-UHFFFAOYSA-N
MW200.28 g/mol
LogP-0.18
Rot. Bonds1

About 1-(1,4-dioxepan-6-yl)piperidin-3-amine

1-(1,4-dioxepan-6-yl)piperidin-3-amine (PubChem CID 130559661) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(1,4-dioxepan-6-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1,4-dioxepan-6-yl)piperidin-3-amine
PubChem CID130559661
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(1,4-dioxepan-6-yl)piperidin-3-amine
SMILESNC1CCCN(C2COCCOC2)C1
InChIInChI=1S/C10H20N2O2/c11-9-2-1-3-12(6-9)10-7-13-4-5-14-8-10/h9-10H,1-8,11H2
InChIKeyOVPZPSZPRZPQJW-UHFFFAOYSA-N
XLogP-0.18
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxepan-6-yl)azetidin-3-amine
CID 130559665
1-cyclobutylpiperidin-3-amine
CID 63935163
1-(4-methyl-4-morpholin-4-ylcyclohexyl)piperidin-3-amine
CID 165488142
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826067
1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
1-[1-(oxolan-3-yl)piperidin-3-yl]ethanamine
CID 63846947
(3S)-1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-3-amine
CID 39225830
1-(3-ethylcyclopentyl)piperidin-3-amine
CID 64513357
1-(1,1-dioxothiolan-3-yl)piperidin-3-amine
CID 61297087
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
1-(oxolan-3-yl)piperidin-4-amine
CID 63333556

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxepan-6-yl)piperidin-3-amine?
The IUPAC name of 1-(1,4-dioxepan-6-yl)piperidin-3-amine (CID 130559661) is 1-(1,4-dioxepan-6-yl)piperidin-3-amine.
What is the SMILES notation for 1-(1,4-dioxepan-6-yl)piperidin-3-amine?
The canonical SMILES for 1-(1,4-dioxepan-6-yl)piperidin-3-amine is NC1CCCN(C2COCCOC2)C1.
What is the InChIKey of 1-(1,4-dioxepan-6-yl)piperidin-3-amine?
The InChIKey is OVPZPSZPRZPQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c11-9-2-1-3-12(6-9)10-7-13-4-5-14-8-10/h9-10H,1-8,11H2.
What are the key properties of 1-(1,4-dioxepan-6-yl)piperidin-3-amine?
1-(1,4-dioxepan-6-yl)piperidin-3-amine has a molecular weight of 200.28 g/mol, XLogP of -0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxepan-6-yl)piperidin-3-amine is sourced from PubChem (CID 130559661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).