2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol

C16H31NO — CID 20501070

IUPAC2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCCC1(CC)CC(O)CC(C)(C)N1CC=C(C)C
InChIInChI=1S/C16H31NO/c1-7-16(8-2)12-14(18)11-15(5,6)17(16)10-9-13(3)4/h9,14,18H,7-8,10-12H2,1-6H3
InChIKeyRBSAFQIVPCHDRJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds4

About 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol

2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol (PubChem CID 20501070) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol.

Molecular Properties

Compound Name2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
PubChem CID20501070
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol
SMILESCCC1(CC)CC(O)CC(C)(C)N1CC=C(C)C
InChIInChI=1S/C16H31NO/c1-7-16(8-2)12-14(18)11-15(5,6)17(16)10-9-13(3)4/h9,14,18H,7-8,10-12H2,1-6H3
InChIKeyRBSAFQIVPCHDRJ-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The IUPAC name of 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol (CID 20501070) is 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol.
What is the SMILES notation for 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The canonical SMILES for 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol is CCC1(CC)CC(O)CC(C)(C)N1CC=C(C)C.
What is the InChIKey of 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
The InChIKey is RBSAFQIVPCHDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-7-16(8-2)12-14(18)11-15(5,6)17(16)10-9-13(3)4/h9,14,18H,7-8,10-12H2,1-6H3.
What are the key properties of 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol?
2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol has a molecular weight of 253.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-ol is sourced from PubChem (CID 20501070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).