3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine

C16H25NO — CID 117116444

IUPAC3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine
SMILESCOCC(C)(C)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C16H25NO/c1-16(2,12-18-3)15-8-4-6-13(10-15)14-7-5-9-17-11-14/h4,6,8,10,14,17H,5,7,9,11-12H2,1-3H3
InChIKeyDEOXZFHDAQKKBG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.08
Rot. Bonds4

About 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine

3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine (PubChem CID 117116444) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine.

Molecular Properties

Compound Name3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine
PubChem CID117116444
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine
SMILESCOCC(C)(C)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C16H25NO/c1-16(2,12-18-3)15-8-4-6-13(10-15)14-7-5-9-17-11-14/h4,6,8,10,14,17H,5,7,9,11-12H2,1-3H3
InChIKeyDEOXZFHDAQKKBG-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
CID 116992772
3-[3-[1-(methoxymethyl)cyclopropyl]phenyl]piperidine
CID 117116450
2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
CID 114607219
N-methyl-1-(3-piperidin-3-ylphenyl)methanamine
CID 116988688
3-piperidin-3-ylbenzenethiol
CID 116988736
(3-piperidin-3-ylphenyl)methanamine
CID 82603658
(3-piperidin-3-ylphenoxy)phosphane
CID 144633040
3-(4-tert-butylphenyl)piperidine
CID 24904200
methyl 3-[(3R)-piperidin-3-yl]benzoate;hydrochloride
CID 45074282
4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392614
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
prop-2-enyl 2-methyl-2-(3-piperidin-3-ylphenoxy)propanoate
CID 69012076

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine?
The IUPAC name of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine (CID 117116444) is 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine.
What is the SMILES notation for 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine?
The canonical SMILES for 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine is COCC(C)(C)c1cccc(C2CCCNC2)c1.
What is the InChIKey of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine?
The InChIKey is DEOXZFHDAQKKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-16(2,12-18-3)15-8-4-6-13(10-15)14-7-5-9-17-11-14/h4,6,8,10,14,17H,5,7,9,11-12H2,1-3H3.
What are the key properties of 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine?
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine is sourced from PubChem (CID 117116444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).