1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine

C19H37N3O — CID 171641813

IUPAC1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine
SMILESCCN1CCCC(CN2CCC(OC3CCN(C)CC3)CC2)C1
InChIInChI=1S/C19H37N3O/c1-3-21-10-4-5-17(15-21)16-22-13-8-19(9-14-22)23-18-6-11-20(2)12-7-18/h17-19H,3-16H2,1-2H3
InChIKeyJTPFXQCULCURHD-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.29
Rot. Bonds5

About 1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine

1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine (PubChem CID 171641813) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine
PubChem CID171641813
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine
SMILESCCN1CCCC(CN2CCC(OC3CCN(C)CC3)CC2)C1
InChIInChI=1S/C19H37N3O/c1-3-21-10-4-5-17(15-21)16-22-13-8-19(9-14-22)23-18-6-11-20(2)12-7-18/h17-19H,3-16H2,1-2H3
InChIKeyJTPFXQCULCURHD-UHFFFAOYSA-N
XLogP2.29
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-ethyl-3-[[4-(1-methylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171641277
ethane;1-ethyl-3-[[4-[(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]methyl]piperidine
CID 171641483
1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
CID 171641415
1-ethyl-4-[[3-(1-methylpiperidin-4-yl)oxycyclobutyl]methyl]piperazine
CID 171641465
1-[(1-ethylpyrrolidin-3-yl)methyl]-4-[(4-piperidin-4-yloxycyclohexyl)methyl]piperazine
CID 171641363
6-ethyl-2-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]-2,6-diazaspiro[3.3]heptane
CID 171641789
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
[4-[(1-ethylpiperidin-3-yl)methyl]piperazin-1-yl]-(4-piperidin-4-yloxycyclohexyl)methanone
CID 171641865
4-cyclobutyloxy-1-ethylpiperidine;ethane
CID 176982865
[1-[(1-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanamine
CID 156595342
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine?
The IUPAC name of 1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine (CID 171641813) is 1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine.
What is the SMILES notation for 1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine?
The canonical SMILES for 1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine is CCN1CCCC(CN2CCC(OC3CCN(C)CC3)CC2)C1.
What is the InChIKey of 1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine?
The InChIKey is JTPFXQCULCURHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-3-21-10-4-5-17(15-21)16-22-13-8-19(9-14-22)23-18-6-11-20(2)12-7-18/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine?
1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine has a molecular weight of 323.53 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methyl]piperidine is sourced from PubChem (CID 171641813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).