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

C16H34N2O — CID 114597558

IUPAC2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
SMILESCC1CC(C)C(C)N(CCC(C)(CO)NC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-12(2)17-16(6,11-19)7-8-18-10-13(3)9-14(4)15(18)5/h12-15,17,19H,7-11H2,1-6H3
InChIKeyPWUFVMHUJBHTBS-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.49
Rot. Bonds6

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

2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol (PubChem CID 114597558) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
PubChem CID114597558
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
SMILESCC1CC(C)C(C)N(CCC(C)(CO)NC(C)C)C1
InChIInChI=1S/C16H34N2O/c1-12(2)17-16(6,11-19)7-8-18-10-13(3)9-14(4)15(18)5/h12-15,17,19H,7-11H2,1-6H3
InChIKeyPWUFVMHUJBHTBS-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol (CID 114597558) is 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol is CC1CC(C)C(C)N(CCC(C)(CO)NC(C)C)C1.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
The InChIKey is PWUFVMHUJBHTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-12(2)17-16(6,11-19)7-8-18-10-13(3)9-14(4)15(18)5/h12-15,17,19H,7-11H2,1-6H3.
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol?
2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 114597558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).