1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine

C20H33NO — CID 67869291

IUPAC1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine
SMILESCCC(CCN1CCCCC1)COc1ccc(C(C)C)cc1
InChIInChI=1S/C20H33NO/c1-4-18(12-15-21-13-6-5-7-14-21)16-22-20-10-8-19(9-11-20)17(2)3/h8-11,17-18H,4-7,12-16H2,1-3H3
InChIKeyACTMZLYNBCRTBB-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.09
Rot. Bonds8

About 1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine

1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine (PubChem CID 67869291) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine.

Molecular Properties

Compound Name1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine
PubChem CID67869291
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine
SMILESCCC(CCN1CCCCC1)COc1ccc(C(C)C)cc1
InChIInChI=1S/C20H33NO/c1-4-18(12-15-21-13-6-5-7-14-21)16-22-20-10-8-19(9-11-20)17(2)3/h8-11,17-18H,4-7,12-16H2,1-3H3
InChIKeyACTMZLYNBCRTBB-UHFFFAOYSA-N
XLogP5.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(4-phenylphenoxy)methyl]pentyl]piperidine
CID 67870450
CID 161147503
CID 161147503
1-(4-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 21237689
1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-ol
CID 78933445
3-(4-propan-2-ylphenoxy)-2-pyrrolidin-1-ylpropan-1-amine
CID 112500967
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
1-(azepan-1-yl)-3-[2-(4-propan-2-ylphenoxy)ethoxy]propan-2-ol
CID 43865760
1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
CID 2923057
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-propan-2-ylphenoxy)propyl]piperazin-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 51623853
1-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine
CID 58513850
(2S)-1-[2-(4-propan-2-ylphenoxy)ethoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 51975381

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine?
The IUPAC name of 1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine (CID 67869291) is 1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine.
What is the SMILES notation for 1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine?
The canonical SMILES for 1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine is CCC(CCN1CCCCC1)COc1ccc(C(C)C)cc1.
What is the InChIKey of 1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine?
The InChIKey is ACTMZLYNBCRTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-18(12-15-21-13-6-5-7-14-21)16-22-20-10-8-19(9-11-20)17(2)3/h8-11,17-18H,4-7,12-16H2,1-3H3.
What are the key properties of 1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine?
1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine has a molecular weight of 303.49 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-propan-2-ylphenoxy)methyl]pentyl]piperidine is sourced from PubChem (CID 67869291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).