2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol

C18H30N2O — CID 64786845

IUPAC2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol
SMILESCC(C)(C)C1CCN(CC(N)(CO)c2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-17(2,3)15-9-11-20(12-10-15)13-18(19,14-21)16-7-5-4-6-8-16/h4-8,15,21H,9-14,19H2,1-3H3
InChIKeyWTDVZTVUEDURFX-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol

2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol (PubChem CID 64786845) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol
PubChem CID64786845
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol
SMILESCC(C)(C)C1CCN(CC(N)(CO)c2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-17(2,3)15-9-11-20(12-10-15)13-18(19,14-21)16-7-5-4-6-8-16/h4-8,15,21H,9-14,19H2,1-3H3
InChIKeyWTDVZTVUEDURFX-UHFFFAOYSA-N
XLogP2.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol (CID 64786845) is 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol is CC(C)(C)C1CCN(CC(N)(CO)c2ccccc2)CC1.
What is the InChIKey of 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol?
The InChIKey is WTDVZTVUEDURFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-17(2,3)15-9-11-20(12-10-15)13-18(19,14-21)16-7-5-4-6-8-16/h4-8,15,21H,9-14,19H2,1-3H3.
What are the key properties of 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol?
2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-tert-butylpiperidin-1-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 64786845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).