(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine

C19H31NO — CID 2297150

IUPAC(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine
SMILESCc1ccc(C(C)C)c(OCCCN2CCC[C@@H](C)C2)c1
InChIInChI=1S/C19H31NO/c1-15(2)18-9-8-16(3)13-19(18)21-12-6-11-20-10-5-7-17(4)14-20/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3/t17-/m1/s1
InChIKeyXYZHVPDNJGYOKL-QGZVFWFLSA-N
MW289.46 g/mol
LogP4.62
Rot. Bonds6

About (3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine

(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine (PubChem CID 2297150) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is (3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine
PubChem CID2297150
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine
SMILESCc1ccc(C(C)C)c(OCCCN2CCC[C@@H](C)C2)c1
InChIInChI=1S/C19H31NO/c1-15(2)18-9-8-16(3)13-19(18)21-12-6-11-20-10-5-7-17(4)14-20/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3/t17-/m1/s1
InChIKeyXYZHVPDNJGYOKL-QGZVFWFLSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.62
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)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
CID 2181266
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 133160653
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine
CID 3398296
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
(1S)-1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 63650259
(3S)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidin-1-ium
CID 2297151
(3R)-3-methyl-1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperidine
CID 893227
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
1-[3-(2,5-dimethylphenoxy)propyl]piperidine-3-carbaldehyde
CID 62654942
(3S)-1-[3-(2,5-dimethylphenoxy)propyl]pyrrolidin-3-amine
CID 81491707
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine?
The IUPAC name of (3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine (CID 2297150) is (3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine.
What is the SMILES notation for (3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine?
The canonical SMILES for (3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine is Cc1ccc(C(C)C)c(OCCCN2CCC[C@@H](C)C2)c1.
What is the InChIKey of (3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine?
The InChIKey is XYZHVPDNJGYOKL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H31NO/c1-15(2)18-9-8-16(3)13-19(18)21-12-6-11-20-10-5-7-17(4)14-20/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine?
(3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine has a molecular weight of 289.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperidine is sourced from PubChem (CID 2297150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).