2-methyl-2-piperidin-1-yldec-9-en-3-ol

C16H31NO — CID 107008615

IUPAC2-methyl-2-piperidin-1-yldec-9-en-3-ol
SMILESC=CCCCCCC(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H31NO/c1-4-5-6-7-9-12-15(18)16(2,3)17-13-10-8-11-14-17/h4,15,18H,1,5-14H2,2-3H3
InChIKeyVBJFQBZWDDNSEC-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds8

About 2-methyl-2-piperidin-1-yldec-9-en-3-ol

2-methyl-2-piperidin-1-yldec-9-en-3-ol (PubChem CID 107008615) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yldec-9-en-3-ol.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yldec-9-en-3-ol
PubChem CID107008615
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-methyl-2-piperidin-1-yldec-9-en-3-ol
SMILESC=CCCCCCC(O)C(C)(C)N1CCCCC1
InChIInChI=1S/C16H31NO/c1-4-5-6-7-9-12-15(18)16(2,3)17-13-10-8-11-14-17/h4,15,18H,1,5-14H2,2-3H3
InChIKeyVBJFQBZWDDNSEC-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': '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 2-methyl-2-piperidin-1-yldec-9-en-3-ol?
The IUPAC name of 2-methyl-2-piperidin-1-yldec-9-en-3-ol (CID 107008615) is 2-methyl-2-piperidin-1-yldec-9-en-3-ol.
What is the SMILES notation for 2-methyl-2-piperidin-1-yldec-9-en-3-ol?
The canonical SMILES for 2-methyl-2-piperidin-1-yldec-9-en-3-ol is C=CCCCCCC(O)C(C)(C)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yldec-9-en-3-ol?
The InChIKey is VBJFQBZWDDNSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-5-6-7-9-12-15(18)16(2,3)17-13-10-8-11-14-17/h4,15,18H,1,5-14H2,2-3H3.
What are the key properties of 2-methyl-2-piperidin-1-yldec-9-en-3-ol?
2-methyl-2-piperidin-1-yldec-9-en-3-ol has a molecular weight of 253.43 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yldec-9-en-3-ol is sourced from PubChem (CID 107008615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).