1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine

C16H24ClNO — CID 2263109

IUPAC1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
SMILESCc1cc(Cl)ccc1OCCCCN1CCCCC1
InChIInChI=1S/C16H24ClNO/c1-14-13-15(17)7-8-16(14)19-12-6-5-11-18-9-3-2-4-10-18/h7-8,13H,2-6,9-12H2,1H3
InChIKeyMYEYTMWFXSYHKM-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.29
Rot. Bonds6

About 1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine

1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine (PubChem CID 2263109) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
PubChem CID2263109
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
SMILESCc1cc(Cl)ccc1OCCCCN1CCCCC1
InChIInChI=1S/C16H24ClNO/c1-14-13-15(17)7-8-16(14)19-12-6-5-11-18-9-3-2-4-10-18/h7-8,13H,2-6,9-12H2,1H3
InChIKeyMYEYTMWFXSYHKM-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
1-[4-(4-bromo-2-methylphenoxy)butyl]azepane;oxalic acid
CID 2943843
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidine
CID 2296987
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
1-[3-(4-tert-butyl-2-methylphenoxy)propyl]piperidine;oxalic acid
CID 2923350
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
(2S)-1-(4-chloro-2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 7024718
ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
CID 6458009
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
1-[2-(2-bromo-4-chlorophenoxy)ethyl]piperidine
CID 803399

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine?
The IUPAC name of 1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine (CID 2263109) is 1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine.
What is the SMILES notation for 1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine?
The canonical SMILES for 1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine is Cc1cc(Cl)ccc1OCCCCN1CCCCC1.
What is the InChIKey of 1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine?
The InChIKey is MYEYTMWFXSYHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-14-13-15(17)7-8-16(14)19-12-6-5-11-18-9-3-2-4-10-18/h7-8,13H,2-6,9-12H2,1H3.
What are the key properties of 1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine?
1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine has a molecular weight of 281.83 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine is sourced from PubChem (CID 2263109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).