2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol

C14H27NO — CID 79178907

IUPAC2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol
SMILESC=C(C)CC(O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C14H27NO/c1-5-14(4,13(16)11-12(2)3)15-9-7-6-8-10-15/h13,16H,2,5-11H2,1,3-4H3
InChIKeyLADIBYCMXIQXBU-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds5

About 2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol

2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol (PubChem CID 79178907) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol.

Molecular Properties

Compound Name2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol
PubChem CID79178907
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol
SMILESC=C(C)CC(O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C14H27NO/c1-5-14(4,13(16)11-12(2)3)15-9-7-6-8-10-15/h13,16H,2,5-11H2,1,3-4H3
InChIKeyLADIBYCMXIQXBU-UHFFFAOYSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
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 2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol?
The IUPAC name of 2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol (CID 79178907) is 2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol.
What is the SMILES notation for 2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol?
The canonical SMILES for 2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol is C=C(C)CC(O)C(C)(CC)N1CCCCC1.
What is the InChIKey of 2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol?
The InChIKey is LADIBYCMXIQXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-14(4,13(16)11-12(2)3)15-9-7-6-8-10-15/h13,16H,2,5-11H2,1,3-4H3.
What are the key properties of 2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol?
2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-piperidin-1-ylhept-1-en-4-ol is sourced from PubChem (CID 79178907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).