2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol

C14H29NO — CID 62930460

IUPAC2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN1CCC(C)(C)CC1
InChIInChI=1S/C14H29NO/c1-5-14(6-2,12-16)11-15-9-7-13(3,4)8-10-15/h16H,5-12H2,1-4H3
InChIKeyKRZNMKFANGRPSW-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.91
Rot. Bonds5

About 2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol

2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol (PubChem CID 62930460) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol
PubChem CID62930460
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CN1CCC(C)(C)CC1
InChIInChI=1S/C14H29NO/c1-5-14(6-2,12-16)11-15-9-7-13(3,4)8-10-15/h16H,5-12H2,1-4H3
InChIKeyKRZNMKFANGRPSW-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol (CID 62930460) is 2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CN1CCC(C)(C)CC1.
What is the InChIKey of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol?
The InChIKey is KRZNMKFANGRPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-14(6-2,12-16)11-15-9-7-13(3,4)8-10-15/h16H,5-12H2,1-4H3.
What are the key properties of 2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol?
2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 62930460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).