3,5-dimethyl-3-piperidin-1-ylheptan-4-ol

C14H29NO — CID 79445766

IUPAC3,5-dimethyl-3-piperidin-1-ylheptan-4-ol
SMILESCCC(C)C(O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C14H29NO/c1-5-12(3)13(16)14(4,6-2)15-10-8-7-9-11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyXUBUJOYRRIWCAY-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.05
Rot. Bonds5

About 3,5-dimethyl-3-piperidin-1-ylheptan-4-ol

3,5-dimethyl-3-piperidin-1-ylheptan-4-ol (PubChem CID 79445766) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,5-dimethyl-3-piperidin-1-ylheptan-4-ol.

Molecular Properties

Compound Name3,5-dimethyl-3-piperidin-1-ylheptan-4-ol
PubChem CID79445766
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,5-dimethyl-3-piperidin-1-ylheptan-4-ol
SMILESCCC(C)C(O)C(C)(CC)N1CCCCC1
InChIInChI=1S/C14H29NO/c1-5-12(3)13(16)14(4,6-2)15-10-8-7-9-11-15/h12-13,16H,5-11H2,1-4H3
InChIKeyXUBUJOYRRIWCAY-UHFFFAOYSA-N
XLogP3.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3-piperidin-1-ylheptan-4-ol?
The IUPAC name of 3,5-dimethyl-3-piperidin-1-ylheptan-4-ol (CID 79445766) is 3,5-dimethyl-3-piperidin-1-ylheptan-4-ol.
What is the SMILES notation for 3,5-dimethyl-3-piperidin-1-ylheptan-4-ol?
The canonical SMILES for 3,5-dimethyl-3-piperidin-1-ylheptan-4-ol is CCC(C)C(O)C(C)(CC)N1CCCCC1.
What is the InChIKey of 3,5-dimethyl-3-piperidin-1-ylheptan-4-ol?
The InChIKey is XUBUJOYRRIWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-12(3)13(16)14(4,6-2)15-10-8-7-9-11-15/h12-13,16H,5-11H2,1-4H3.
What are the key properties of 3,5-dimethyl-3-piperidin-1-ylheptan-4-ol?
3,5-dimethyl-3-piperidin-1-ylheptan-4-ol has a molecular weight of 227.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3-piperidin-1-ylheptan-4-ol is sourced from PubChem (CID 79445766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).