3-ethyl-4-(2-methylpentyl)piperidin-4-ol

C13H27NO — CID 114510431

IUPAC3-ethyl-4-(2-methylpentyl)piperidin-4-ol
SMILESCCCC(C)CC1(O)CCNCC1CC
InChIInChI=1S/C13H27NO/c1-4-6-11(3)9-13(15)7-8-14-10-12(13)5-2/h11-12,14-15H,4-10H2,1-3H3
InChIKeyLFHSUBQEWBGGLZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds5

About 3-ethyl-4-(2-methylpentyl)piperidin-4-ol

3-ethyl-4-(2-methylpentyl)piperidin-4-ol (PubChem CID 114510431) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-ethyl-4-(2-methylpentyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-4-(2-methylpentyl)piperidin-4-ol
PubChem CID114510431
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-ethyl-4-(2-methylpentyl)piperidin-4-ol
SMILESCCCC(C)CC1(O)CCNCC1CC
InChIInChI=1S/C13H27NO/c1-4-6-11(3)9-13(15)7-8-14-10-12(13)5-2/h11-12,14-15H,4-10H2,1-3H3
InChIKeyLFHSUBQEWBGGLZ-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-methylpentyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-4-(2-methylpentyl)piperidin-4-ol (CID 114510431) is 3-ethyl-4-(2-methylpentyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-4-(2-methylpentyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-4-(2-methylpentyl)piperidin-4-ol is CCCC(C)CC1(O)CCNCC1CC.
What is the InChIKey of 3-ethyl-4-(2-methylpentyl)piperidin-4-ol?
The InChIKey is LFHSUBQEWBGGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-11(3)9-13(15)7-8-14-10-12(13)5-2/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-4-(2-methylpentyl)piperidin-4-ol?
3-ethyl-4-(2-methylpentyl)piperidin-4-ol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-methylpentyl)piperidin-4-ol is sourced from PubChem (CID 114510431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).