3-(3-propan-2-ylphenoxy)piperidine

C14H21NO — CID 45075406

IUPAC3-(3-propan-2-ylphenoxy)piperidine
SMILESCC(C)c1cccc(OC2CCCNC2)c1
InChIInChI=1S/C14H21NO/c1-11(2)12-5-3-6-13(9-12)16-14-7-4-8-15-10-14/h3,5-6,9,11,14-15H,4,7-8,10H2,1-2H3
InChIKeyBHBWHZTTYBNONX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.94
Rot. Bonds3

About 3-(3-propan-2-ylphenoxy)piperidine

3-(3-propan-2-ylphenoxy)piperidine (PubChem CID 45075406) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3-propan-2-ylphenoxy)piperidine.

Molecular Properties

Compound Name3-(3-propan-2-ylphenoxy)piperidine
PubChem CID45075406
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(3-propan-2-ylphenoxy)piperidine
SMILESCC(C)c1cccc(OC2CCCNC2)c1
InChIInChI=1S/C14H21NO/c1-11(2)12-5-3-6-13(9-12)16-14-7-4-8-15-10-14/h3,5-6,9,11,14-15H,4,7-8,10H2,1-2H3
InChIKeyBHBWHZTTYBNONX-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
(3R)-3-phenoxypiperidine
CID 42553363
3-piperidin-3-yloxybenzonitrile
CID 22309128
3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine
CID 115042136
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208
3-(3-propan-2-ylphenoxy)cyclohexan-1-ol
CID 79618801
7-(3-propan-2-ylphenoxy)-2-azaspiro[3.5]nonane
CID 163218689
(3R)-3-(3,4-dimethylphenoxy)piperidine
CID 26191417
4-(3-propan-2-ylphenoxy)oxane
CID 126724587
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
N-piperidin-3-yl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119425040
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylphenoxy)piperidine?
The IUPAC name of 3-(3-propan-2-ylphenoxy)piperidine (CID 45075406) is 3-(3-propan-2-ylphenoxy)piperidine.
What is the SMILES notation for 3-(3-propan-2-ylphenoxy)piperidine?
The canonical SMILES for 3-(3-propan-2-ylphenoxy)piperidine is CC(C)c1cccc(OC2CCCNC2)c1.
What is the InChIKey of 3-(3-propan-2-ylphenoxy)piperidine?
The InChIKey is BHBWHZTTYBNONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)12-5-3-6-13(9-12)16-14-7-4-8-15-10-14/h3,5-6,9,11,14-15H,4,7-8,10H2,1-2H3.
What are the key properties of 3-(3-propan-2-ylphenoxy)piperidine?
3-(3-propan-2-ylphenoxy)piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-ylphenoxy)piperidine is sourced from PubChem (CID 45075406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).