1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine

C13H27N3O — CID 102963901

IUPAC1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
SMILESCOC1CCCN(CCN2CCC(N)CC2)C1
InChIInChI=1S/C13H27N3O/c1-17-13-3-2-6-16(11-13)10-9-15-7-4-12(14)5-8-15/h12-13H,2-11,14H2,1H3
InChIKeyXJUDNHNRFNGRIA-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.52
Rot. Bonds4

About 1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine

1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine (PubChem CID 102963901) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
PubChem CID102963901
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
SMILESCOC1CCCN(CCN2CCC(N)CC2)C1
InChIInChI=1S/C13H27N3O/c1-17-13-3-2-6-16(11-13)10-9-15-7-4-12(14)5-8-15/h12-13H,2-11,14H2,1H3
InChIKeyXJUDNHNRFNGRIA-UHFFFAOYSA-N
XLogP0.52
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(3-methoxyazetidin-1-yl)ethyl]-3-methylpiperidine
CID 66580780
1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
CID 91835394
1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
(3R)-3-methoxy-1-methylpiperidine
CID 70315605
1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328360
1-[2-(4-propan-2-ylazepan-1-yl)ethyl]piperidin-4-amine
CID 79328072
[(4S)-4-methoxyazepan-1-yl]methanamine
CID 178155799
[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methanamine
CID 102956615
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
3-[(3-methoxypiperidin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 102963855
3-methoxy-1-(2-piperidin-2-ylethyl)piperidine
CID 102965751

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine (CID 102963901) is 1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine is COC1CCCN(CCN2CCC(N)CC2)C1.
What is the InChIKey of 1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is XJUDNHNRFNGRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-17-13-3-2-6-16(11-13)10-9-15-7-4-12(14)5-8-15/h12-13H,2-11,14H2,1H3.
What are the key properties of 1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine?
1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 241.38 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 102963901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).