3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol

C16H34N2O — CID 64787038

IUPAC3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-13(2)17-16(6,12-19)11-18-9-7-14(8-10-18)15(3,4)5/h13-14,17,19H,7-12H2,1-6H3
InChIKeyBOVSEEUFXHLOEI-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.49
Rot. Bonds5

About 3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol

3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64787038) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64787038
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NC(C)(CO)CN1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H34N2O/c1-13(2)17-16(6,12-19)11-18-9-7-14(8-10-18)15(3,4)5/h13-14,17,19H,7-12H2,1-6H3
InChIKeyBOVSEEUFXHLOEI-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol (CID 64787038) is 3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol is CC(C)NC(C)(CO)CN1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is BOVSEEUFXHLOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)17-16(6,12-19)11-18-9-7-14(8-10-18)15(3,4)5/h13-14,17,19H,7-12H2,1-6H3.
What are the key properties of 3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol?
3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 270.46 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64787038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).