3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol

C12H25NO — CID 106146060

IUPAC3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol
SMILESCC1CCN(CC(C)(C)CCO)CC1
InChIInChI=1S/C12H25NO/c1-11-4-7-13(8-5-11)10-12(2,3)6-9-14/h11,14H,4-10H2,1-3H3
InChIKeyCSNZAKQRYFNWRE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds4

About 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol

3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol (PubChem CID 106146060) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol
PubChem CID106146060
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol
SMILESCC1CCN(CC(C)(C)CCO)CC1
InChIInChI=1S/C12H25NO/c1-11-4-7-13(8-5-11)10-12(2,3)6-9-14/h11,14H,4-10H2,1-3H3
InChIKeyCSNZAKQRYFNWRE-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol (CID 106146060) is 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol is CC1CCN(CC(C)(C)CCO)CC1.
What is the InChIKey of 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol?
The InChIKey is CSNZAKQRYFNWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11-4-7-13(8-5-11)10-12(2,3)6-9-14/h11,14H,4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol?
3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-methylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 106146060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).