4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine

C17H34N2O — CID 175626941

IUPAC4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
SMILESCOCCCC1CCN(CCC2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-18-10-5-17(6-11-18)9-14-19-12-7-16(8-13-19)4-3-15-20-2/h16-17H,3-15H2,1-2H3
InChIKeyWBHVYIGKUWVUTF-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.86
Rot. Bonds7

About 4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine

4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine (PubChem CID 175626941) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
PubChem CID175626941
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
SMILESCOCCCC1CCN(CCC2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N2O/c1-18-10-5-17(6-11-18)9-14-19-12-7-16(8-13-19)4-3-15-20-2/h16-17H,3-15H2,1-2H3
InChIKeyWBHVYIGKUWVUTF-UHFFFAOYSA-N
XLogP2.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(3-methoxypropyl)piperidin-1-yl]ethyl]-4-propan-2-ylpiperidine
CID 175629532
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
4-(2-methoxyethyl)-1-octylpiperidine
CID 134254922
1-(3-methoxypropyl)piperidin-4-amine;hydrochloride
CID 141311767
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
CID 114515872
1-(2-methoxyethyl)-4-[(1-methylazetidin-3-yl)methyl]piperidine
CID 177319090
1-(6-methoxyhexyl)piperidin-4-amine
CID 18001881
2-[1-(3-methoxypropyl)piperidin-4-yl]acetonitrile
CID 117003584
4-(3-iodopropyl)-1-methylpiperidine
CID 18723182
4-iodo-1-(3-methoxypropyl)piperidine
CID 166738892
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine?
The IUPAC name of 4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine (CID 175626941) is 4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine.
What is the SMILES notation for 4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine?
The canonical SMILES for 4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine is COCCCC1CCN(CCC2CCN(C)CC2)CC1.
What is the InChIKey of 4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine?
The InChIKey is WBHVYIGKUWVUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-18-10-5-17(6-11-18)9-14-19-12-7-16(8-13-19)4-3-15-20-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine?
4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine has a molecular weight of 282.47 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine is sourced from PubChem (CID 175626941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).