(2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol

C17H27NO — CID 54180290

IUPAC(2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
SMILESCN1CCCCC1C[C@H]1CC2=C(CC=CC2)C[C@@H]1O
InChIInChI=1S/C17H27NO/c1-18-9-5-4-8-16(18)11-15-10-13-6-2-3-7-14(13)12-17(15)19/h2-3,15-17,19H,4-12H2,1H3/t15-,16?,17+/m1/s1
InChIKeyPBHUFRTUONBEGQ-SKQWJGTPSA-N
MW261.41 g/mol
LogP3.28
Rot. Bonds2

About (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol

(2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol (PubChem CID 54180290) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
PubChem CID54180290
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
SMILESCN1CCCCC1C[C@H]1CC2=C(CC=CC2)C[C@@H]1O
InChIInChI=1S/C17H27NO/c1-18-9-5-4-8-16(18)11-15-10-13-6-2-3-7-14(13)12-17(15)19/h2-3,15-17,19H,4-12H2,1H3/t15-,16?,17+/m1/s1
InChIKeyPBHUFRTUONBEGQ-SKQWJGTPSA-N
XLogP3.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The IUPAC name of (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol (CID 54180290) is (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol.
What is the SMILES notation for (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The canonical SMILES for (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol is CN1CCCCC1C[C@H]1CC2=C(CC=CC2)C[C@@H]1O.
What is the InChIKey of (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
The InChIKey is PBHUFRTUONBEGQ-SKQWJGTPSA-N. The full InChI is InChI=1S/C17H27NO/c1-18-9-5-4-8-16(18)11-15-10-13-6-2-3-7-14(13)12-17(15)19/h2-3,15-17,19H,4-12H2,1H3/t15-,16?,17+/m1/s1.
What are the key properties of (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol?
(2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(1-methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol is sourced from PubChem (CID 54180290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).