N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide

C24H34N4O — CID 174525515

IUPACN-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N1CCC(C)CC1)N(CCCN)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C24H34N4O/c1-19-12-16-27(17-13-19)24(26)28(15-5-14-25)22-8-10-23(11-9-22)29-18-21-7-4-3-6-20(21)2/h3-4,6-11,19,26H,5,12-18,25H2,1-2H3/b26-24+
InChIKeyUFWPAANTNBDKPB-SHHOIMCASA-N
MW394.56 g/mol
LogP4.40
Rot. Bonds7

About N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide

N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide (PubChem CID 174525515) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide
PubChem CID174525515
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC NameN-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N1CCC(C)CC1)N(CCCN)c1ccc(OCc2ccccc2C)cc1
InChIInChI=1S/C24H34N4O/c1-19-12-16-27(17-13-19)24(26)28(15-5-14-25)22-8-10-23(11-9-22)29-18-21-7-4-3-6-20(21)2/h3-4,6-11,19,26H,5,12-18,25H2,1-2H3/b26-24+
InChIKeyUFWPAANTNBDKPB-SHHOIMCASA-N
XLogP4.40
TPSA65.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide?
The IUPAC name of N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide (CID 174525515) is N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide?
The canonical SMILES for N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide is [H]/N=C(\N1CCC(C)CC1)N(CCCN)c1ccc(OCc2ccccc2C)cc1.
What is the InChIKey of N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide?
The InChIKey is UFWPAANTNBDKPB-SHHOIMCASA-N. The full InChI is InChI=1S/C24H34N4O/c1-19-12-16-27(17-13-19)24(26)28(15-5-14-25)22-8-10-23(11-9-22)29-18-21-7-4-3-6-20(21)2/h3-4,6-11,19,26H,5,12-18,25H2,1-2H3/b26-24+.
What are the key properties of N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide?
N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide has a molecular weight of 394.56 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-methyl-N-[4-[(2-methylphenyl)methoxy]phenyl]piperidine-1-carboximidamide is sourced from PubChem (CID 174525515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).