(2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol

C21H27N3O2 — CID 139061206

IUPAC(2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1cccc(N2CCN([C@@H]3Cc4c(N)cccc4C[C@H]3O)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-26-17-6-3-5-16(13-17)23-8-10-24(11-9-23)20-14-18-15(12-21(20)25)4-2-7-19(18)22/h2-7,13,20-21,25H,8-12,14,22H2,1H3/t20-,21-/m1/s1
InChIKeyPCXMHXFSBISIAG-NHCUHLMSSA-N
MW353.47 g/mol
LogP1.93
Rot. Bonds3

About (2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol

(2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 139061206) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID139061206
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCOc1cccc(N2CCN([C@@H]3Cc4c(N)cccc4C[C@H]3O)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-26-17-6-3-5-16(13-17)23-8-10-24(11-9-23)20-14-18-15(12-21(20)25)4-2-7-19(18)22/h2-7,13,20-21,25H,8-12,14,22H2,1H3/t20-,21-/m1/s1
InChIKeyPCXMHXFSBISIAG-NHCUHLMSSA-N
XLogP1.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-5-amino-3-[4-(2-methylphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70123323
2-[4-(3-methoxyphenyl)piperazin-1-yl]pyridin-3-amine
CID 19627773
2-[4-(3-methoxyphenyl)piperazin-1-yl]cyclopentane-1-carbonitrile
CID 43291800
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
(2R,3R)-3-[4-(2-aminophenyl)piperazin-1-yl]-5-tributylstannyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 70121804
(2R,3R)-5-amino-3-methoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 58734131
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
6-methoxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol
CID 21439796
1-(3-methoxyphenyl)azepane
CID 57276431
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
(3R)-1-(4-methoxyphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1261246
(4-amino-3-nitrophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574291

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of (2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol (CID 139061206) is (2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for (2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol is COc1cccc(N2CCN([C@@H]3Cc4c(N)cccc4C[C@H]3O)CC2)c1.
What is the InChIKey of (2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is PCXMHXFSBISIAG-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-17-6-3-5-16(13-17)23-8-10-24(11-9-23)20-14-18-15(12-21(20)25)4-2-7-19(18)22/h2-7,13,20-21,25H,8-12,14,22H2,1H3/t20-,21-/m1/s1.
What are the key properties of (2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol?
(2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 353.47 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 139061206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).