N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide

C24H33N3O2 — CID 57204709

IUPACN-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide
SMILES[H]/N=C(/N(Cc1ccccc1)CC(OC)OC)C1(c2ccccc2)CCN(C)CC1
InChIInChI=1S/C24H33N3O2/c1-26-16-14-24(15-17-26,21-12-8-5-9-13-21)23(25)27(19-22(28-2)29-3)18-20-10-6-4-7-11-20/h4-13,22,25H,14-19H2,1-3H3/b25-23+
InChIKeyZXRXPUPRUHSVRX-WJTDDFOZSA-N
MW395.55 g/mol
LogP3.75
Rot. Bonds8

About N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide

N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide (PubChem CID 57204709) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide.

Molecular Properties

Compound NameN-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide
PubChem CID57204709
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide
SMILES[H]/N=C(/N(Cc1ccccc1)CC(OC)OC)C1(c2ccccc2)CCN(C)CC1
InChIInChI=1S/C24H33N3O2/c1-26-16-14-24(15-17-26,21-12-8-5-9-13-21)23(25)27(19-22(28-2)29-3)18-20-10-6-4-7-11-20/h4-13,22,25H,14-19H2,1-3H3/b25-23+
InChIKeyZXRXPUPRUHSVRX-WJTDDFOZSA-N
XLogP3.75
TPSA48.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-phenylcyclobutane-1-carboximidamide
CID 63179800
N,N-dimethyl-1-phenylcyclopentane-1-carboximidamide
CID 63179364
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 66222971
benzyl(3,3-dimethoxypropyl)carbamic acid
CID 162786149
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
N,1-dimethyl-N-[(3-methylsulfanylphenyl)methyl]-4-phenylpiperidine-4-carboxamide
CID 131948127
methyl (4R,5R)-5-[benzyl(2,2-dimethoxyethyl)carbamoyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11794218
(4-benzyl-1-methylpiperidin-4-yl)methanol;hydrochloride
CID 169435400

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide?
The IUPAC name of N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide (CID 57204709) is N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide.
What is the SMILES notation for N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide?
The canonical SMILES for N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide is [H]/N=C(/N(Cc1ccccc1)CC(OC)OC)C1(c2ccccc2)CCN(C)CC1.
What is the InChIKey of N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide?
The InChIKey is ZXRXPUPRUHSVRX-WJTDDFOZSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-26-16-14-24(15-17-26,21-12-8-5-9-13-21)23(25)27(19-22(28-2)29-3)18-20-10-6-4-7-11-20/h4-13,22,25H,14-19H2,1-3H3/b25-23+.
What are the key properties of N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide?
N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide has a molecular weight of 395.55 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,2-dimethoxyethyl)-1-methyl-4-phenylpiperidine-4-carboximidamide is sourced from PubChem (CID 57204709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).