(2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C21H26N2O — CID 10019050

IUPAC(2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESNc1cccc2c1CC(N1CCC(c3ccccc3)CC1)[C@H](O)C2
InChIInChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2/t20?,21-/m1/s1
InChIKeyCELYMPNBUOGKMD-BPGUCPLFSA-N
MW322.45 g/mol
LogP2.98
Rot. Bonds2

About (2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 10019050) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is (2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID10019050
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name(2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESNc1cccc2c1CC(N1CCC(c3ccccc3)CC1)[C@H](O)C2
InChIInChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2/t20?,21-/m1/s1
InChIKeyCELYMPNBUOGKMD-BPGUCPLFSA-N
XLogP2.98
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(18F)fluoro-N-[(6R,7R)-6-hydroxy-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 450854
8-Amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15925854
5-Amino-3-(4-phenyl-piperidin-1-yl)-1,2,3,4-tetrahydro-naphthalen-2-ol
CID 15925856
trans-1,2,3,4-Tetrahydro-3-(4-phenyl-1-piperazinyl)-2-naphthalenol
CID 70619937
(2R,3R)-3-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 10807685
(2R,3R)-8-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15925855
N-[6-Hydroxy-7-(4-phenyl-piperidin-1-yl)-5,6,7,8-tetrahydro-naphthalen-1-yl]-acetamide
CID 15925859
N-[6-Hydroxy-4-iodo-7-(4-phenyl-piperidin-1-yl)-5,6,7,8-tetrahydro-naphthalen-1-yl]-acetamide
CID 15925860
N-[6-Hydroxy-7-(4-phenyl-piperidin-1-yl)-5,6,7,8-tetrahydro-naphthalen-1-yl]-succinamic acid
CID 15925862
[1-[(2R,3R)-8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 46197787
[1-[(2R,3R)-5-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone;hydrochloride
CID 46197788
[1-[(2R,3R)-8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 49861336

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 10019050) is (2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is Nc1cccc2c1CC(N1CCC(c3ccccc3)CC1)[C@H](O)C2.
What is the InChIKey of (2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is CELYMPNBUOGKMD-BPGUCPLFSA-N. The full InChI is InChI=1S/C21H26N2O/c22-19-8-4-7-17-13-21(24)20(14-18(17)19)23-11-9-16(10-12-23)15-5-2-1-3-6-15/h1-8,16,20-21,24H,9-14,22H2/t20?,21-/m1/s1.
What are the key properties of (2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 322.45 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-amino-3-(4-phenylpiperidin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 10019050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).