1-(4-chlorophenoxy)-3-methylpiperidine

C12H16ClNO — CID 175299873

IUPAC1-(4-chlorophenoxy)-3-methylpiperidine
SMILESCC1CCCN(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c1-10-3-2-8-14(9-10)15-12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyZHWLOUUICGTMLI-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.37
Rot. Bonds2

About 1-(4-chlorophenoxy)-3-methylpiperidine

1-(4-chlorophenoxy)-3-methylpiperidine (PubChem CID 175299873) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-methylpiperidine.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-methylpiperidine
PubChem CID175299873
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(4-chlorophenoxy)-3-methylpiperidine
SMILESCC1CCCN(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H16ClNO/c1-10-3-2-8-14(9-10)15-12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3
InChIKeyZHWLOUUICGTMLI-UHFFFAOYSA-N
XLogP3.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111032344
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 5017264
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
3-(4-chlorophenyl)-2-methyl-2-(3-methylpiperidin-1-yl)propan-1-amine
CID 84752060
(3R)-N-(4-chlorobenzoyl)-3-methylpiperidine-1-carboxamide
CID 701228
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4062713
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006523
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-methylpiperidine?
The IUPAC name of 1-(4-chlorophenoxy)-3-methylpiperidine (CID 175299873) is 1-(4-chlorophenoxy)-3-methylpiperidine.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-methylpiperidine?
The canonical SMILES for 1-(4-chlorophenoxy)-3-methylpiperidine is CC1CCCN(Oc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-methylpiperidine?
The InChIKey is ZHWLOUUICGTMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-10-3-2-8-14(9-10)15-12-6-4-11(13)5-7-12/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-methylpiperidine?
1-(4-chlorophenoxy)-3-methylpiperidine has a molecular weight of 225.72 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-methylpiperidine is sourced from PubChem (CID 175299873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).