2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol

C16H34N2O — CID 114597539

IUPAC2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CC(C)CC(C)C1C
InChIInChI=1S/C16H34N2O/c1-6-8-17-16(5,12-19)7-9-18-11-13(2)10-14(3)15(18)4/h13-15,17,19H,6-12H2,1-5H3
InChIKeyAFTVKBJDWPUHMQ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.49
Rot. Bonds7

About 2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol

2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol (PubChem CID 114597539) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
PubChem CID114597539
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
SMILESCCCNC(C)(CO)CCN1CC(C)CC(C)C1C
InChIInChI=1S/C16H34N2O/c1-6-8-17-16(5,12-19)7-9-18-11-13(2)10-14(3)15(18)4/h13-15,17,19H,6-12H2,1-5H3
InChIKeyAFTVKBJDWPUHMQ-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597558
6-(3,5-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64796258
2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)butan-1-ol
CID 64825876
2-methyl-4-(3-methylpiperidin-1-yl)-2-(propylamino)butan-1-ol
CID 64798009
6-(2,4-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)hexan-1-ol
CID 64789152
3,3-dimethyl-N-propyl-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
CID 114592822
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
2-methyl-4-morpholin-4-yl-2-(propylamino)butan-1-ol
CID 64795842
4-(2-ethylmorpholin-4-yl)-2-methyl-2-(propylamino)butan-1-ol
CID 64795537
5-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 103540839
2-methyl-5-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-(propylamino)pentan-1-ol
CID 64791640
1-amino-2-methyl-5-(2,3,5-trimethylpiperidin-1-yl)pentan-2-ol
CID 114597568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol (CID 114597539) is 2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol is CCCNC(C)(CO)CCN1CC(C)CC(C)C1C.
What is the InChIKey of 2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The InChIKey is AFTVKBJDWPUHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-6-8-17-16(5,12-19)7-9-18-11-13(2)10-14(3)15(18)4/h13-15,17,19H,6-12H2,1-5H3.
What are the key properties of 2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 114597539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).