5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol

C12H25NO — CID 62330381

IUPAC5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol
SMILESCC(O)CCCN1CCC(C)CC1C
InChIInChI=1S/C12H25NO/c1-10-6-8-13(11(2)9-10)7-4-5-12(3)14/h10-12,14H,4-9H2,1-3H3
InChIKeyHPUNNELRIDBSGB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds4

About 5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol

5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol (PubChem CID 62330381) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol
PubChem CID62330381
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol
SMILESCC(O)CCCN1CCC(C)CC1C
InChIInChI=1S/C12H25NO/c1-10-6-8-13(11(2)9-10)7-4-5-12(3)14/h10-12,14H,4-9H2,1-3H3
InChIKeyHPUNNELRIDBSGB-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol?
The IUPAC name of 5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol (CID 62330381) is 5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol.
What is the SMILES notation for 5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol?
The canonical SMILES for 5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol is CC(O)CCCN1CCC(C)CC1C.
What is the InChIKey of 5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol?
The InChIKey is HPUNNELRIDBSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-6-8-13(11(2)9-10)7-4-5-12(3)14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol?
5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpiperidin-1-yl)pentan-2-ol is sourced from PubChem (CID 62330381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).