1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

C19H27NO — CID 15163154

IUPAC1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESc1ccc2c(c1)CCCC21CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H27NO/c1-2-8-18-16(5-1)6-3-9-19(18)10-12-20(13-11-19)15-17-7-4-14-21-17/h1-2,5,8,17H,3-4,6-7,9-15H2
InChIKeyDPGHRVNUEIVOEX-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.54
Rot. Bonds2

About 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]

1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (PubChem CID 15163154) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].

Molecular Properties

Compound Name1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
PubChem CID15163154
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
SMILESc1ccc2c(c1)CCCC21CCN(CC2CCCO2)CC1
InChIInChI=1S/C19H27NO/c1-2-8-18-16(5-1)6-3-9-19(18)10-12-20(13-11-19)15-17-7-4-14-21-17/h1-2,5,8,17H,3-4,6-7,9-15H2
InChIKeyDPGHRVNUEIVOEX-UHFFFAOYSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-{3-[1-Phenyl-meth-(E)-ylidene]-3H-inden-1-yl}-ethyl)-morpholine
CID 44350470
Morpholine, 4-((1-phenylcyclohexyl)methyl)-
CID 567602
1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine];hydrochloride
CID 54586690
1'-(Oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine];hydrochloride
CID 54586713
Morpholine, 4-(2-(2-benzylinden-3-yl)ethyl)-, hydrochloride
CID 204479
Morpholine, 4-(3-(1-naphthyl)propyl)-, hydrochloride
CID 205702
Morpholine, 4-(2-(1-phenylcyclohexyl)ethyl)-, hydrochloride
CID 3038715
1'-(Oxolan-2-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 15163164
(2E)-3-phenyl-N-[(2E)-3-phenylprop-2-en-1-yl]-N-(tetrahydrofuran-2-ylmethyl)prop-2-en-1-amine
CID 5802760
4-(2-(2-isopropyl-4-phenyltetrahydro-2H-pyran-4-yl)ethyl)morpholine hydrochloride
CID 52994559
(e)-4-(3-(3-(2,6-Dimethylstyryl)phenyl)propyl)morpholine
CID 25101034
(z)-4-(3-(3-(2,6-Dimethylstyryl)phenyl)propyl)morpholine
CID 25101035

Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The IUPAC name of 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] (CID 15163154) is 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine].
What is the SMILES notation for 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The canonical SMILES for 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is c1ccc2c(c1)CCCC21CCN(CC2CCCO2)CC1.
What is the InChIKey of 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
The InChIKey is DPGHRVNUEIVOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-8-18-16(5-1)6-3-9-19(18)10-12-20(13-11-19)15-17-7-4-14-21-17/h1-2,5,8,17H,3-4,6-7,9-15H2.
What are the key properties of 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]?
1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] has a molecular weight of 285.43 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine] is sourced from PubChem (CID 15163154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).