1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine

C21H42N2O — CID 18711076

IUPAC1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine
SMILESCC(CN1CCCCC1)OCC(C)C(C)C(C)CN1CCCCC1
InChIInChI=1S/C21H42N2O/c1-18(15-22-11-7-5-8-12-22)21(4)19(2)17-24-20(3)16-23-13-9-6-10-14-23/h18-21H,5-17H2,1-4H3
InChIKeyXUDQFRNSLRFZPZ-UHFFFAOYSA-N
MW338.58 g/mol
LogP4.27
Rot. Bonds9

About 1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine

1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine (PubChem CID 18711076) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine.

Molecular Properties

Compound Name1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine
PubChem CID18711076
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine
SMILESCC(CN1CCCCC1)OCC(C)C(C)C(C)CN1CCCCC1
InChIInChI=1S/C21H42N2O/c1-18(15-22-11-7-5-8-12-22)21(4)19(2)17-24-20(3)16-23-13-9-6-10-14-23/h18-21H,5-17H2,1-4H3
InChIKeyXUDQFRNSLRFZPZ-UHFFFAOYSA-N
XLogP4.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-Dimethyl-6-morpholin-4-ylhexyl)morpholine
CID 15370627
2-[2-[(3R,4S)-3-fluoro-4-propan-2-ylpiperidin-1-yl]ethyl]-4-propan-2-ylmorpholine
CID 171598745
9-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}-3-oxa-9-azaspiro[5.5]undecane
CID 56896311
1-[2-(4,5-Dimethylhexan-2-yloxy)ethyl]-1-methylpiperidin-1-ium
CID 58070575
4-[(2S,3S)-4-methyl-3-(morpholin-4-ylmethyl)-2-propan-2-ylpentyl]morpholine
CID 59567145
(3S)-1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882710
1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-4-methylpiperidine
CID 70882777
(3R)-1-[[(2S,3R,4S)-3,4-dimethyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882779
1-[(3,4-Dimethyloxan-2-yl)methyl]-3-methylpiperidine
CID 77944817
1-[(3,4-Dimethyloxan-2-yl)methyl]-4-methylpiperidine
CID 77944832
2-[2-(6,6-Dimethyl-4-propan-2-ylmorpholin-2-yl)ethyl]-2,6,6-trimethyl-4-propan-2-ylmorpholine
CID 126513800
N,N,3-trimethyl-4-[4-(3-methylbutyl)morpholin-2-yl]butan-1-amine
CID 126549955

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine?
The IUPAC name of 1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine (CID 18711076) is 1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine.
What is the SMILES notation for 1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine?
The canonical SMILES for 1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine is CC(CN1CCCCC1)OCC(C)C(C)C(C)CN1CCCCC1.
What is the InChIKey of 1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine?
The InChIKey is XUDQFRNSLRFZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-18(15-22-11-7-5-8-12-22)21(4)19(2)17-24-20(3)16-23-13-9-6-10-14-23/h18-21H,5-17H2,1-4H3.
What are the key properties of 1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine?
1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine has a molecular weight of 338.58 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4-trimethyl-5-piperidin-1-ylpentoxy)propyl]piperidine is sourced from PubChem (CID 18711076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).