1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine

C25H35NO3 — CID 126572003

IUPAC1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine
SMILESCC(COCCOC1(C)CCN(Cc2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C25H35NO3/c1-22(28-21-24-11-7-4-8-12-24)20-27-17-18-29-25(2)13-15-26(16-14-25)19-23-9-5-3-6-10-23/h3-12,22H,13-21H2,1-2H3
InChIKeyOGXZBEQRDTWQPY-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.68
Rot. Bonds11

About 1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine

1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine (PubChem CID 126572003) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine.

Molecular Properties

Compound Name1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine
PubChem CID126572003
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine
SMILESCC(COCCOC1(C)CCN(Cc2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C25H35NO3/c1-22(28-21-24-11-7-4-8-12-24)20-27-17-18-29-25(2)13-15-26(16-14-25)19-23-9-5-3-6-10-23/h3-12,22H,13-21H2,1-2H3
InChIKeyOGXZBEQRDTWQPY-UHFFFAOYSA-N
XLogP4.68
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butoxypropan-2-yloxymethylbenzene
CID 12963722
N-methyl-2-(2-phenylmethoxypropoxy)ethanamine
CID 175417034
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
2-[(2S)-2-phenylmethoxypropoxy]ethyl 4-methylbenzenesulfonate
CID 165127866
2-[1-(3-methylbutoxy)propan-2-yloxy]ethoxymethylbenzene
CID 165127781
methyl 2-[2-[3-(2-hydroxy-5-methylphenyl)phenyl]-7,8-dimethyl-5-[4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidin-1-yl]imidazo[1,2-a]pyridin-6-yl]acetate
CID 126591866
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
1-(2-phenylmethoxypropoxy)adamantane
CID 71174959
1-benzyl-4-[2-[(2S)-pentan-2-yl]oxyethyl]piperazine
CID 139379312
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine?
The IUPAC name of 1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine (CID 126572003) is 1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine.
What is the SMILES notation for 1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine?
The canonical SMILES for 1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine is CC(COCCOC1(C)CCN(Cc2ccccc2)CC1)OCc1ccccc1.
What is the InChIKey of 1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine?
The InChIKey is OGXZBEQRDTWQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO3/c1-22(28-21-24-11-7-4-8-12-24)20-27-17-18-29-25(2)13-15-26(16-14-25)19-23-9-5-3-6-10-23/h3-12,22H,13-21H2,1-2H3.
What are the key properties of 1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine?
1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine has a molecular weight of 397.56 g/mol, XLogP of 4.68, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-methyl-4-[2-(2-phenylmethoxypropoxy)ethoxy]piperidine is sourced from PubChem (CID 126572003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).