1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine

C12H25N3O — CID 79328295

IUPAC1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
SMILESNC1CCN(CCN2CCCOCC2)CC1
InChIInChI=1S/C12H25N3O/c13-12-2-5-15(6-3-12)8-7-14-4-1-10-16-11-9-14/h12H,1-11,13H2
InChIKeyYJTPHZNDXSKPBE-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.13
Rot. Bonds3

About 1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine

1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine (PubChem CID 79328295) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
PubChem CID79328295
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
SMILESNC1CCN(CCN2CCCOCC2)CC1
InChIInChI=1S/C12H25N3O/c13-12-2-5-15(6-3-12)8-7-14-4-1-10-16-11-9-14/h12H,1-11,13H2
InChIKeyYJTPHZNDXSKPBE-UHFFFAOYSA-N
XLogP0.13
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-ylethyl)piperidin-3-amine
CID 54593784
3-(1,4-oxazepan-4-yl)propan-1-amine
CID 59833420
methanamine;4-propyl-1,4-oxazepane
CID 169188972
4-[2-(azetidin-3-yl)ethyl]-1,4-oxazepane
CID 116679964
N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
CID 62987458
4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine
CID 80675433
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
[1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 24703103
1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine
CID 79328072
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride
CID 67523899
1-[2-(3-ethylmorpholin-4-yl)ethyl]piperidin-4-amine
CID 79328207
N-[5-(1,4-oxazepan-4-yl)pentyl]cyclopropanamine
CID 62972668

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine (CID 79328295) is 1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine is NC1CCN(CCN2CCCOCC2)CC1.
What is the InChIKey of 1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine?
The InChIKey is YJTPHZNDXSKPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c13-12-2-5-15(6-3-12)8-7-14-4-1-10-16-11-9-14/h12H,1-11,13H2.
What are the key properties of 1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine?
1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine has a molecular weight of 227.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 79328295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).