3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol

C12H26N2O — CID 111543942

IUPAC3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol
SMILESCCN1CCC(N(C)CCCO)C(C)C1
InChIInChI=1S/C12H26N2O/c1-4-14-8-6-12(11(2)10-14)13(3)7-5-9-15/h11-12,15H,4-10H2,1-3H3
InChIKeyMBOCNAUSLMOGIJ-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.03
Rot. Bonds5

About 3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol

3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol (PubChem CID 111543942) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol
PubChem CID111543942
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol
SMILESCCN1CCC(N(C)CCCO)C(C)C1
InChIInChI=1S/C12H26N2O/c1-4-14-8-6-12(11(2)10-14)13(3)7-5-9-15/h11-12,15H,4-10H2,1-3H3
InChIKeyMBOCNAUSLMOGIJ-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-ethyl-N,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperidin-4-amine
CID 100862109
(3S,4S)-N-[(2-chlorophenyl)methyl]-1-ethyl-N,3-dimethylpiperidin-4-amine
CID 100839078
1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166198840
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
4-[methyl-(2-methylcyclopropyl)amino]butan-1-ol
CID 89249305
3-[(2,5-dimethylcyclopentyl)-methylamino]propan-1-ol
CID 89252140
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea
CID 96542994
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119893453
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]butan-1-ol
CID 114287080
methyl 4-[[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]methyl]-1H-pyrrole-2-carboxylate
CID 84594294
methyl 5-[[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 100904757
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 119893413

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol?
The IUPAC name of 3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol (CID 111543942) is 3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol?
The canonical SMILES for 3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol is CCN1CCC(N(C)CCCO)C(C)C1.
What is the InChIKey of 3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol?
The InChIKey is MBOCNAUSLMOGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-14-8-6-12(11(2)10-14)13(3)7-5-9-15/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol?
3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol is sourced from PubChem (CID 111543942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).