1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine

C15H32N2O — CID 106586522

IUPAC1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCCC(COC)C1
InChIInChI=1S/C15H32N2O/c1-4-7-15(16-9-5-2)12-17-10-6-8-14(11-17)13-18-3/h14-16H,4-13H2,1-3H3
InChIKeyAXTPLJFUFRSFHA-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

About 1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine

1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine (PubChem CID 106586522) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
PubChem CID106586522
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine
SMILESCCCNC(CCC)CN1CCCC(COC)C1
InChIInChI=1S/C15H32N2O/c1-4-7-15(16-9-5-2)12-17-10-6-8-14(11-17)13-18-3/h14-16H,4-13H2,1-3H3
InChIKeyAXTPLJFUFRSFHA-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64569701
3-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)propanenitrile
CID 106588520
N-[1-cyclopentyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]propan-1-amine
CID 104746508
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]pentane-1-thiol
CID 106590062
methyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(propylamino)propanoate
CID 64583946
1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine
CID 107505847
4-[3-(methoxymethyl)piperidin-1-yl]-2-(propylamino)butanamide
CID 106588626
N-ethyl-1-(3-ethylpiperidin-1-yl)-3-methoxypropan-2-amine
CID 107505415
3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64811056
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]butane-1-thiol
CID 106590065

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine?
The IUPAC name of 1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine (CID 106586522) is 1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine?
The canonical SMILES for 1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine is CCCNC(CCC)CN1CCCC(COC)C1.
What is the InChIKey of 1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine?
The InChIKey is AXTPLJFUFRSFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-7-15(16-9-5-2)12-17-10-6-8-14(11-17)13-18-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine?
1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)piperidin-1-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 106586522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).