2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol

C14H30N2O — CID 64798009

IUPAC2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CCCC(C)C1
InChIInChI=1S/C14H30N2O/c1-4-8-15-14(3,12-17)7-10-16-9-5-6-13(2)11-16/h13,15,17H,4-12H2,1-3H3
InChIKeyIURKKHYMAYBFGJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds7

About 2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol

2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol (PubChem CID 64798009) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
PubChem CID64798009
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CCCC(C)C1
InChIInChI=1S/C14H30N2O/c1-4-8-15-14(3,12-17)7-10-16-9-5-6-13(2)11-16/h13,15,17H,4-12H2,1-3H3
InChIKeyIURKKHYMAYBFGJ-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876
4-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 102968930
6-(3-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64795564
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 65286693
6-(3-methoxypiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 102968939
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64795537
2-methyl-4-morpholin-4-yl-2-(propylamino)butan-1-ol
CID 64795842
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 79935464
2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597539
2-methyl-2-(methylamino)-4-(3-propoxypiperidin-1-yl)butan-1-ol
CID 64827408
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 65286793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol?
The IUPAC name of 2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol (CID 64798009) is 2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol?
The canonical SMILES for 2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol is CCCNC(C)(CO)CCN1CCCC(C)C1.
What is the InChIKey of 2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol?
The InChIKey is IURKKHYMAYBFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-8-15-14(3,12-17)7-10-16-9-5-6-13(2)11-16/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol?
2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64798009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).