trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol

C20H29NO — CID 10357403

IUPACtrans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC2(CCCc3ccccc32)CC1
InChIInChI=1S/C20H29NO/c22-19-10-4-3-9-18(19)21-14-12-20(13-15-21)11-5-7-16-6-1-2-8-17(16)20/h1-2,6,8,18-19,22H,3-5,7,9-15H2/t18-,19-/m1/s1
InChIKeyFVFUENYIYISMCS-RTBURBONSA-N
MW299.46 g/mol
LogP3.66
Rot. Bonds1

About trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol

trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol (PubChem CID 10357403) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol
PubChem CID10357403
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC Nametrans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CCC2(CCCc3ccccc32)CC1
InChIInChI=1S/C20H29NO/c22-19-10-4-3-9-18(19)21-14-12-20(13-15-21)11-5-7-16-6-1-2-8-17(16)20/h1-2,6,8,18-19,22H,3-5,7,9-15H2/t18-,19-/m1/s1
InChIKeyFVFUENYIYISMCS-RTBURBONSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol with MolForge

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Related Compounds

(-)-Vesamicol
CID 659840
Vesamicol
CID 5662
Vesamicol hydrochloride
CID 212231
(1S,2S)-2-(4-Phenyl-1-piperidinyl)cyclohexanol
CID 833992
1'-(2-Hydroxy-1,2,3,4-tetrahydronaphth-3-yl)spiro(1H-indene-1,4'-piperidine)
CID 3083476
Benzovesamicol
CID 15925918
Vesamicol hydrochloride, (+/-)-
CID 6603219
5-Iodobenzovesamicol
CID 124499
Cyclohexanol, 2-(4-(phenylmethyl)-1-piperidinyl)-, trans-(+-)-
CID 3078230
(2R,3R)-3-spiro[indene-1,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 9862398
(2R,3R,4aR,8aR)-3-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 10335743
(1R,6R)-6-(4-phenylpiperidin-1-yl)cyclohex-3-en-1-ol
CID 44450421

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol (CID 10357403) is trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol is O[C@@H]1CCCC[C@H]1N1CCC2(CCCc3ccccc32)CC1.
What is the InChIKey of trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol?
The InChIKey is FVFUENYIYISMCS-RTBURBONSA-N. The full InChI is InChI=1S/C20H29NO/c22-19-10-4-3-9-18(19)21-14-12-20(13-15-21)11-5-7-16-6-1-2-8-17(16)20/h1-2,6,8,18-19,22H,3-5,7,9-15H2/t18-,19-/m1/s1.
What are the key properties of trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol?
trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol has a molecular weight of 299.46 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-ylcyclohexan-1-ol is sourced from PubChem (CID 10357403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).