4-butyl-1-methylpiperidin-4-ol;ethane

C14H33NO — CID 171492369

IUPAC4-butyl-1-methylpiperidin-4-ol;ethane
SMILESCC.CC.CCCCC1(O)CCN(C)CC1
InChIInChI=1S/C10H21NO.2C2H6/c1-3-4-5-10(12)6-8-11(2)9-7-10;2*1-2/h12H,3-9H2,1-2H3;2*1-2H3
InChIKeyVSULOUGGNCHVDP-UHFFFAOYSA-N
MW231.42 g/mol
LogP3.69
Rot. Bonds3

About 4-butyl-1-methylpiperidin-4-ol;ethane

4-butyl-1-methylpiperidin-4-ol;ethane (PubChem CID 171492369) has the molecular formula C14H33NO and a molecular weight of 231.42 g/mol. Its IUPAC name is 4-butyl-1-methylpiperidin-4-ol;ethane.

Molecular Properties

Compound Name4-butyl-1-methylpiperidin-4-ol;ethane
PubChem CID171492369
Molecular FormulaC14H33NO
Molecular Weight231.42 g/mol
Exact Mass231.26
IUPAC Name4-butyl-1-methylpiperidin-4-ol;ethane
SMILESCC.CC.CCCCC1(O)CCN(C)CC1
InChIInChI=1S/C10H21NO.2C2H6/c1-3-4-5-10(12)6-8-11(2)9-7-10;2*1-2/h12H,3-9H2,1-2H3;2*1-2H3
InChIKeyVSULOUGGNCHVDP-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Piperidinol, 1,4-dibutyl-, hydrochloride
CID 3048622
Piperidine, 1,2,5-trimethyl-4-hydroxy-4-butyl-
CID 603449
1-Methyl-4-(2-methylpropyl)piperidin-4-ol
CID 23395567
4-Piperidinol, 4-cyclopropyl-1-methyl-
CID 10702047
(r,s)-1,3-Diethyl-piperidin-3-ol
CID 21581073
1,2,2,4,6,6-Hexamethylpiperidin-4-ol
CID 434568
1-Methyl-4-isopropylpiperid-4-ol
CID 23395568
1-[2-(Dimethylamino)ethyl]cyclohexan-1-ol
CID 70111593
1,2,4-Trimethylpiperid-4-ol
CID 81611310
1,2,3,4-Tetramethylpiperid-4-ol
CID 129804205
1-Tert-butyl-4-(3,3-difluorobutyl)piperidin-4-ol
CID 90420086
1-Methyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 115515262

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methylpiperidin-4-ol;ethane?
The IUPAC name of 4-butyl-1-methylpiperidin-4-ol;ethane (CID 171492369) is 4-butyl-1-methylpiperidin-4-ol;ethane.
What is the SMILES notation for 4-butyl-1-methylpiperidin-4-ol;ethane?
The canonical SMILES for 4-butyl-1-methylpiperidin-4-ol;ethane is CC.CC.CCCCC1(O)CCN(C)CC1.
What is the InChIKey of 4-butyl-1-methylpiperidin-4-ol;ethane?
The InChIKey is VSULOUGGNCHVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.2C2H6/c1-3-4-5-10(12)6-8-11(2)9-7-10;2*1-2/h12H,3-9H2,1-2H3;2*1-2H3.
What are the key properties of 4-butyl-1-methylpiperidin-4-ol;ethane?
4-butyl-1-methylpiperidin-4-ol;ethane has a molecular weight of 231.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-methylpiperidin-4-ol;ethane is sourced from PubChem (CID 171492369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).