3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine

C13H28N2O — CID 102965543

IUPAC3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)N1CCCC(OC)C1
InChIInChI=1S/C13H28N2O/c1-5-8-14-11(2)12(3)15-9-6-7-13(10-15)16-4/h11-14H,5-10H2,1-4H3
InChIKeySHSVLGJBLASXHX-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds6

About 3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine

3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine (PubChem CID 102965543) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine
PubChem CID102965543
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)N1CCCC(OC)C1
InChIInChI=1S/C13H28N2O/c1-5-8-14-11(2)12(3)15-9-6-7-13(10-15)16-4/h11-14H,5-10H2,1-4H3
InChIKeySHSVLGJBLASXHX-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 102968134
3-(3-methoxypiperidin-1-yl)-2-methylbutan-1-amine
CID 102968184
3-(3,4-dimethoxypyrrolidin-1-yl)-N-propylbutan-2-amine
CID 103532491
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314
4-amino-3-(3-methoxypiperidin-1-yl)-N-propylbutanamide
CID 102965045
4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine
CID 102968095
3-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 102968159
N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
CID 102968396
1-(4-ethylphenyl)-2-(3-methoxypiperidin-1-yl)-N-methylpropan-1-amine
CID 102965616
N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
CID 102968384
N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 102968127

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine (CID 102965543) is 3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine is CCCNC(C)C(C)N1CCCC(OC)C1.
What is the InChIKey of 3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine?
The InChIKey is SHSVLGJBLASXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-8-14-11(2)12(3)15-9-6-7-13(10-15)16-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine?
3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypiperidin-1-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 102965543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).