(3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol

C17H31NO — CID 89059394

IUPAC(3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol
SMILESC=C1C(C)C(=C)N(C(C)CCCCCCC)C[C@@H]1O
InChIInChI=1S/C17H31NO/c1-6-7-8-9-10-11-13(2)18-12-17(19)15(4)14(3)16(18)5/h13-14,17,19H,4-12H2,1-3H3/t13?,14?,17-/m0/s1
InChIKeyYRXFAQTYGHCTRG-KVULBXGLSA-N
MW265.44 g/mol
LogP4.12
Rot. Bonds7

About (3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol

(3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol (PubChem CID 89059394) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol
PubChem CID89059394
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol
SMILESC=C1C(C)C(=C)N(C(C)CCCCCCC)C[C@@H]1O
InChIInChI=1S/C17H31NO/c1-6-7-8-9-10-11-13(2)18-12-17(19)15(4)14(3)16(18)5/h13-14,17,19H,4-12H2,1-3H3/t13?,14?,17-/m0/s1
InChIKeyYRXFAQTYGHCTRG-KVULBXGLSA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol?
The IUPAC name of (3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol (CID 89059394) is (3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol.
What is the SMILES notation for (3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol?
The canonical SMILES for (3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol is C=C1C(C)C(=C)N(C(C)CCCCCCC)C[C@@H]1O.
What is the InChIKey of (3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol?
The InChIKey is YRXFAQTYGHCTRG-KVULBXGLSA-N. The full InChI is InChI=1S/C17H31NO/c1-6-7-8-9-10-11-13(2)18-12-17(19)15(4)14(3)16(18)5/h13-14,17,19H,4-12H2,1-3H3/t13?,14?,17-/m0/s1.
What are the key properties of (3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol?
(3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol has a molecular weight of 265.44 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-4,6-dimethylidene-1-nonan-2-ylpiperidin-3-ol is sourced from PubChem (CID 89059394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).