(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine

C16H24ClNO — CID 2181266

IUPAC(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
SMILESCc1ccc(Cl)c(OCCCN2CCC[C@@H](C)C2)c1
InChIInChI=1S/C16H24ClNO/c1-13-6-7-15(17)16(11-13)19-10-4-9-18-8-3-5-14(2)12-18/h6-7,11,14H,3-5,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeyFKSIZFPPTGLMNJ-CQSZACIVSA-N
MW281.83 g/mol
LogP4.15
Rot. Bonds5

About (3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine

(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine (PubChem CID 2181266) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
PubChem CID2181266
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
SMILESCc1ccc(Cl)c(OCCCN2CCC[C@@H](C)C2)c1
InChIInChI=1S/C16H24ClNO/c1-13-6-7-15(17)16(11-13)19-10-4-9-18-8-3-5-14(2)12-18/h6-7,11,14H,3-5,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeyFKSIZFPPTGLMNJ-CQSZACIVSA-N
XLogP4.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.15
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

(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine
CID 2297150
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
1-[2-(2-chloro-5-methylphenoxy)ethyl]-N,N-dimethylpiperidin-3-amine
CID 142946036
1-[3-(4-chloro-3-ethylphenoxy)propyl]-3-methylpiperidine
CID 2935991
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112976866
(2R,6R)-4-[4-(2-chloro-5-methylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2182666
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
1-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 44828222
(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 893227
3-chloro-5-methoxy-4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]aniline
CID 129362158
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
(3S)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidin-1-ium
CID 2181267

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine (CID 2181266) is (3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine is Cc1ccc(Cl)c(OCCCN2CCC[C@@H](C)C2)c1.
What is the InChIKey of (3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine?
The InChIKey is FKSIZFPPTGLMNJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-13-6-7-15(17)16(11-13)19-10-4-9-18-8-3-5-14(2)12-18/h6-7,11,14H,3-5,8-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine?
(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine has a molecular weight of 281.83 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine is sourced from PubChem (CID 2181266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).