4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride

C35H40ClNO — CID 70618841

IUPAC4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride
SMILESCOC(C)C1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C35H39NO.ClH/c1-29(37-2)34(30-15-7-3-8-16-30)23-26-36(27-24-34)28-25-35(31-17-9-4-10-18-31,32-19-11-5-12-20-32)33-21-13-6-14-22-33;/h3-22,29H,23-28H2,1-2H3;1H
InChIKeyXWHKSWPSFQVFCG-UHFFFAOYSA-N
MW526.16 g/mol
LogP7.90
Rot. Bonds9

About 4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride

4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride (PubChem CID 70618841) has the molecular formula C35H40ClNO and a molecular weight of 526.16 g/mol. Its IUPAC name is 4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride
PubChem CID70618841
Molecular FormulaC35H40ClNO
Molecular Weight526.16 g/mol
Exact Mass525.28
IUPAC Name4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride
SMILESCOC(C)C1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.Cl
InChIInChI=1S/C35H39NO.ClH/c1-29(37-2)34(30-15-7-3-8-16-30)23-26-36(27-24-34)28-25-35(31-17-9-4-10-18-31,32-19-11-5-12-20-32)33-21-13-6-14-22-33;/h3-22,29H,23-28H2,1-2H3;1H
InChIKeyXWHKSWPSFQVFCG-UHFFFAOYSA-N
XLogP7.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.16
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
azane;4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylic acid
CID 173450342
oxalic acid;[4-phenyl-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
CID 70619039
2-[3-[4-(2-methoxyethyl)-4-phenylpiperidin-1-yl]-1,1-diphenylpropyl]pyridine;hydrochloride
CID 70618720
[4-[4-(trifluoromethyl)phenyl]-1-(3,3,3-triphenylpropyl)piperidin-4-yl]methanol
CID 18520141
4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
CID 91356446
4-[1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]ethyl]-4-phenylpiperidine
CID 19960246
[3-[1-(1-methoxyethyl)cyclopropyl]phenyl]methanamine
CID 115024182
1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
CID 115047487
[1-(1-fluoroethyl)cyclopropyl]benzene
CID 84716993
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 154841334
1-(3,3-diphenyl-3-propoxypropyl)piperidine
CID 163484740

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride?
The IUPAC name of 4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride (CID 70618841) is 4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride?
The canonical SMILES for 4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride is COC(C)C1(c2ccccc2)CCN(CCC(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride?
The InChIKey is XWHKSWPSFQVFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39NO.ClH/c1-29(37-2)34(30-15-7-3-8-16-30)23-26-36(27-24-34)28-25-35(31-17-9-4-10-18-31,32-19-11-5-12-20-32)33-21-13-6-14-22-33;/h3-22,29H,23-28H2,1-2H3;1H.
What are the key properties of 4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride?
4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride has a molecular weight of 526.16 g/mol, XLogP of 7.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethyl)-4-phenyl-1-(3,3,3-triphenylpropyl)piperidine;hydrochloride is sourced from PubChem (CID 70618841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).