2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol

C14H28N2O2 — CID 107395999

IUPAC2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN1CCCC(C)(OC)C1)C1CC1
InChIInChI=1S/C14H28N2O2/c1-13(18-3)7-4-8-16(9-13)10-14(11-17,15-2)12-5-6-12/h12,15,17H,4-11H2,1-3H3
InChIKeyFNKPPCQWTHVZHB-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.85
Rot. Bonds6

About 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol

2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol (PubChem CID 107395999) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol
PubChem CID107395999
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN1CCCC(C)(OC)C1)C1CC1
InChIInChI=1S/C14H28N2O2/c1-13(18-3)7-4-8-16(9-13)10-14(11-17,15-2)12-5-6-12/h12,15,17H,4-11H2,1-3H3
InChIKeyFNKPPCQWTHVZHB-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-3-(3-methoxy-3-methylpiperidin-1-yl)-2-methylpropan-1-ol
CID 107395980
2-cyclopropyl-3-(3,3-dimethylpiperidin-1-yl)-2-(ethylamino)propan-1-ol
CID 64790214
2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64795789
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanamide
CID 107394710
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 107394663
N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 107395092
3-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropane-1-thiol
CID 107396246
2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103504047
N-(cyclopropylmethyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107393244
2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64827067
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084
2-ethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-N-propylbutan-1-amine
CID 107395160

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol (CID 107395999) is 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol is CNC(CO)(CN1CCCC(C)(OC)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol?
The InChIKey is FNKPPCQWTHVZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(18-3)7-4-8-16(9-13)10-14(11-17,15-2)12-5-6-12/h12,15,17H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methoxy-3-methylpiperidin-1-yl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 107395999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).