(4R)-4-cyclobutyloxyazepane

C10H19NO — CID 124508837

IUPAC(4R)-4-cyclobutyloxyazepane
SMILESC1CC(O[C@@H]2CCCNCC2)C1
InChIInChI=1S/C10H19NO/c1-3-9(4-1)12-10-5-2-7-11-8-6-10/h9-11H,1-8H2/t10-/m1/s1
InChIKeyPYRVDDPGOVAREQ-SNVBAGLBSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds2

About (4R)-4-cyclobutyloxyazepane

(4R)-4-cyclobutyloxyazepane (PubChem CID 124508837) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4R)-4-cyclobutyloxyazepane.

Molecular Properties

Compound Name(4R)-4-cyclobutyloxyazepane
PubChem CID124508837
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4R)-4-cyclobutyloxyazepane
SMILESC1CC(O[C@@H]2CCCNCC2)C1
InChIInChI=1S/C10H19NO/c1-3-9(4-1)12-10-5-2-7-11-8-6-10/h9-11H,1-8H2/t10-/m1/s1
InChIKeyPYRVDDPGOVAREQ-SNVBAGLBSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-piperidin-4-yloxycyclohexyl)oxypiperidine
CID 165136805
4-[(1R,3R)-3-piperidin-4-yloxycyclopentyl]oxypiperidine
CID 165137114
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
4-(azetidin-3-yloxy)piperidine;dihydrochloride
CID 155892166
cyclobutyloxycyclobutane;hydrofluoride
CID 174842144
(3S)-1-methyl-3-piperidin-4-yloxypiperidine
CID 97181123
cyclobutyloxycyclohexane
CID 89332762
3-cyclobutyloxy-1-piperidin-4-ylpiperidine
CID 176957476
4-(2-fluoroethoxy)azepane
CID 84651254
4-(4-chlorophenoxy)azepane
CID 63904264
3-(oxan-4-yloxy)piperidine;hydrochloride
CID 167716540
4-[(3R)-oxolan-3-yl]oxypiperidine
CID 95305973

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclobutyloxyazepane?
The IUPAC name of (4R)-4-cyclobutyloxyazepane (CID 124508837) is (4R)-4-cyclobutyloxyazepane.
What is the SMILES notation for (4R)-4-cyclobutyloxyazepane?
The canonical SMILES for (4R)-4-cyclobutyloxyazepane is C1CC(O[C@@H]2CCCNCC2)C1.
What is the InChIKey of (4R)-4-cyclobutyloxyazepane?
The InChIKey is PYRVDDPGOVAREQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9(4-1)12-10-5-2-7-11-8-6-10/h9-11H,1-8H2/t10-/m1/s1.
What are the key properties of (4R)-4-cyclobutyloxyazepane?
(4R)-4-cyclobutyloxyazepane has a molecular weight of 169.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclobutyloxyazepane is sourced from PubChem (CID 124508837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).