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

C24H29NO — CID 10450381

IUPAC(2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCCc3ccccc32)CC1
InChIInChI=1S/C24H29NO/c26-23-17-20-8-2-1-7-19(20)16-22(23)25-14-12-24(13-15-25)11-5-9-18-6-3-4-10-21(18)24/h1-4,6-8,10,22-23,26H,5,9,11-17H2/t22-,23-/m1/s1
InChIKeyFAZLJWDRYXXPKQ-DHIUTWEWSA-N
MW347.50 g/mol
LogP3.88
Rot. Bonds1

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

(2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 10450381) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is (2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID10450381
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name(2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESO[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCCc3ccccc32)CC1
InChIInChI=1S/C24H29NO/c26-23-17-20-8-2-1-7-19(20)16-22(23)25-14-12-24(13-15-25)11-5-9-18-6-3-4-10-21(18)24/h1-4,6-8,10,22-23,26H,5,9,11-17H2/t22-,23-/m1/s1
InChIKeyFAZLJWDRYXXPKQ-DHIUTWEWSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(2-Hydroxy-1,2,3,4-tetrahydronaphth-3-yl)spiro(1H-indene-1,4'-piperidine)
CID 3083476
1'-(2-phenylethyl)spiro[3,4-dihydro-1H-naphthalene-2,4'-piperidine]-1-ol
CID 3083481
Benzovesamicol
CID 15925918
5-Iodobenzovesamicol
CID 124499
(2R,3R)-3-spiro[indene-1,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 9862398
(2R,3R)-3-(5-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10047150
(2R,3R)-3-(2-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10250990
(2R,3R,4aR,8aR)-3-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 10335743
(2R,3R)-3-(4-bromospiro[indene-1,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10454205
3-(4-Phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
CID 3078239
3-(4-Phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol
CID 15925916
(-)-(R,R)-5-Fluoro-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol
CID 49843553

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol (CID 10450381) is (2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol is O[C@@H]1Cc2ccccc2C[C@H]1N1CCC2(CCCc3ccccc32)CC1.
What is the InChIKey of (2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is FAZLJWDRYXXPKQ-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H29NO/c26-23-17-20-8-2-1-7-19(20)16-22(23)25-14-12-24(13-15-25)11-5-9-18-6-3-4-10-21(18)24/h1-4,6-8,10,22-23,26H,5,9,11-17H2/t22-,23-/m1/s1.
What are the key properties of (2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 347.50 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1'-yl-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10450381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).