3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol

C12H26N2O — CID 114507986

IUPAC3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol
SMILESCCC1CN(C(C)C(C)O)CCC1NC
InChIInChI=1S/C12H26N2O/c1-5-11-8-14(9(2)10(3)15)7-6-12(11)13-4/h9-13,15H,5-8H2,1-4H3
InChIKeyWWNNYJWAOOMVQI-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds4

About 3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol

3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol (PubChem CID 114507986) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol
PubChem CID114507986
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol
SMILESCCC1CN(C(C)C(C)O)CCC1NC
InChIInChI=1S/C12H26N2O/c1-5-11-8-14(9(2)10(3)15)7-6-12(11)13-4/h9-13,15H,5-8H2,1-4H3
InChIKeyWWNNYJWAOOMVQI-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507937
N-cyclopropyl-2-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507912
2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 114507963
3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol
CID 114499381
3-ethyl-N,1-dimethylpiperidin-4-amine
CID 114507994
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one
CID 114506515
3-[3-ethyl-4-(methylamino)piperidin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 114507900
3-ethyl-1-(3-methylbutan-2-yl)piperidin-4-ol
CID 126999297
3-ethyl-N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 114507946
3-[3-ethyl-4-(methylamino)piperidin-1-yl]propan-1-ol
CID 114507793
2-[3-ethyl-4-(ethylamino)piperidin-1-yl]propanamide
CID 114507497
(4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506510

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol?
The IUPAC name of 3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol (CID 114507986) is 3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol?
The canonical SMILES for 3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol is CCC1CN(C(C)C(C)O)CCC1NC.
What is the InChIKey of 3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol?
The InChIKey is WWNNYJWAOOMVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-11-8-14(9(2)10(3)15)7-6-12(11)13-4/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol?
3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 114507986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).