4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine

C21H42N2O — CID 176983225

IUPAC4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine
SMILESCCC(C)C1CCN(CCCOCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H42N2O/c1-5-19(4)21-9-12-22(13-10-21)11-6-16-24-17-20-7-14-23(15-8-20)18(2)3/h18-21H,5-17H2,1-4H3
InChIKeyNUDOFIRJLUWQRZ-UHFFFAOYSA-N
MW338.58 g/mol
LogP4.27
Rot. Bonds9

About 4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine

4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine (PubChem CID 176983225) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine.

Molecular Properties

Compound Name4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine
PubChem CID176983225
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine
SMILESCCC(C)C1CCN(CCCOCC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H42N2O/c1-5-19(4)21-9-12-22(13-10-21)11-6-16-24-17-20-7-14-23(15-8-20)18(2)3/h18-21H,5-17H2,1-4H3
InChIKeyNUDOFIRJLUWQRZ-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

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3-fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
CID 171598560
3-Fluoro-1-(3-propan-2-ylcyclobutyl)-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
CID 171598864
(3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine
CID 171723122
(3R)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine
CID 171723132
(3S)-3-ethyl-1-(oxan-4-yl)piperidine
CID 57639894
(3R)-3-ethyl-1-(oxan-4-yl)piperidine
CID 57640053
1-(Oxan-4-yl)-4-propan-2-ylpiperidine
CID 59606930
(3R)-1-(oxan-4-yl)-3-propan-2-ylpiperidine
CID 68271924
3-Ethyl-1-(oxan-4-yl)piperidine
CID 76573035
1-(Oxan-4-yl)-3-propan-2-ylpiperidine
CID 77447581
4-(Oxan-4-yl)-1-propan-2-ylpiperidine
CID 86769725
3-Methyl-1-[3-[3-(3-methylpiperidin-1-yl)propoxy]propyl]piperidine
CID 89683285

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine?
The IUPAC name of 4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine (CID 176983225) is 4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine.
What is the SMILES notation for 4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine?
The canonical SMILES for 4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine is CCC(C)C1CCN(CCCOCC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine?
The InChIKey is NUDOFIRJLUWQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-5-19(4)21-9-12-22(13-10-21)11-6-16-24-17-20-7-14-23(15-8-20)18(2)3/h18-21H,5-17H2,1-4H3.
What are the key properties of 4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine?
4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]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 4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine is sourced from PubChem (CID 176983225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).