2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol

C14H28N2O2 — CID 107395980

IUPAC2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol
SMILESCOC1(C)CCCN(CC(C)(CO)NC2CC2)C1
InChIInChI=1S/C14H28N2O2/c1-13(11-17,15-12-5-6-12)9-16-8-4-7-14(2,10-16)18-3/h12,15,17H,4-11H2,1-3H3
InChIKeySISLNHRBIIIDSI-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.99
Rot. Bonds6

About 2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol

2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol (PubChem CID 107395980) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol
PubChem CID107395980
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol
SMILESCOC1(C)CCCN(CC(C)(CO)NC2CC2)C1
InChIInChI=1S/C14H28N2O2/c1-13(11-17,15-12-5-6-12)9-16-8-4-7-14(2,10-16)18-3/h12,15,17H,4-11H2,1-3H3
InChIKeySISLNHRBIIIDSI-UHFFFAOYSA-N
XLogP0.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol (CID 107395980) is 2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol is COC1(C)CCCN(CC(C)(CO)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol?
The InChIKey is SISLNHRBIIIDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(11-17,15-12-5-6-12)9-16-8-4-7-14(2,10-16)18-3/h12,15,17H,4-11H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol?
2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 107395980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).