benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine

C19H29NO — CID 156803348

IUPACbenzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine
SMILESC1CCN(C2CCCCC23CCO3)CC1.c1ccccc1
InChIInChI=1S/C13H23NO.C6H6/c1-4-9-14(10-5-1)12-6-2-3-7-13(12)8-11-15-13;1-2-4-6-5-3-1/h12H,1-11H2;1-6H
InChIKeyACYAGRDWEIPQNM-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.26
Rot. Bonds1

About benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine

benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine (PubChem CID 156803348) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine.

Molecular Properties

Compound Namebenzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine
PubChem CID156803348
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Namebenzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine
SMILESC1CCN(C2CCCCC23CCO3)CC1.c1ccccc1
InChIInChI=1S/C13H23NO.C6H6/c1-4-9-14(10-5-1)12-6-2-3-7-13(12)8-11-15-13;1-2-4-6-5-3-1/h12H,1-11H2;1-6H
InChIKeyACYAGRDWEIPQNM-UHFFFAOYSA-N
XLogP4.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazine-1,1'-cyclopentane]
CID 45098810
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
1-[(5R,9R)-1-oxaspiro[4.4]nonan-9-yl]pyrazole
CID 170965690
1-methyl-3-(11-pyrrolidin-1-yl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)quinolin-4-one
CID 131669561
[1-(1-oxaspiro[4.4]nonan-4-yl)pyrrolidin-3-yl]methanol
CID 165469741
cis-(1R,2R)-1-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 101409360
(27S)-5,21,26,26-tetramethyl-1-azabicyclo[25.8.0]pentatriacontane
CID 155003765
1-oxaspiro[5.5]undecan-11-ol
CID 69392634
5-(2-methylphenyl)-1-oxaspiro[3.5]nonane
CID 156803422
1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 20569063
5-propan-2-yl-1-oxaspiro[3.5]nonane
CID 118613178
(4S)-1-oxaspiro[4.5]decan-4-ol
CID 134985958

Frequently Asked Questions

What is the IUPAC name of benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine?
The IUPAC name of benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine (CID 156803348) is benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine.
What is the SMILES notation for benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine?
The canonical SMILES for benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine is C1CCN(C2CCCCC23CCO3)CC1.c1ccccc1.
What is the InChIKey of benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine?
The InChIKey is ACYAGRDWEIPQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C6H6/c1-4-9-14(10-5-1)12-6-2-3-7-13(12)8-11-15-13;1-2-4-6-5-3-1/h12H,1-11H2;1-6H.
What are the key properties of benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine?
benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine has a molecular weight of 287.45 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-(1-oxaspiro[3.5]nonan-5-yl)piperidine is sourced from PubChem (CID 156803348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).