N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine

C19H22Cl2N2 — CID 23137586

IUPACN-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine
SMILESCc1ccc(N(Cc2ccc(Cl)c(Cl)c2)C2CCNCC2)cc1
InChIInChI=1S/C19H22Cl2N2/c1-14-2-5-16(6-3-14)23(17-8-10-22-11-9-17)13-15-4-7-18(20)19(21)12-15/h2-7,12,17,22H,8-11,13H2,1H3
InChIKeyOHMYYDVMCNVNAA-UHFFFAOYSA-N
MW349.31 g/mol
LogP5.06
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine

N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine (PubChem CID 23137586) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine
PubChem CID23137586
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine
SMILESCc1ccc(N(Cc2ccc(Cl)c(Cl)c2)C2CCNCC2)cc1
InChIInChI=1S/C19H22Cl2N2/c1-14-2-5-16(6-3-14)23(17-8-10-22-11-9-17)13-15-4-7-18(20)19(21)12-15/h2-7,12,17,22H,8-11,13H2,1H3
InChIKeyOHMYYDVMCNVNAA-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.31
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine (CID 23137586) is N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine is Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)C2CCNCC2)cc1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine?
The InChIKey is OHMYYDVMCNVNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2/c1-14-2-5-16(6-3-14)23(17-8-10-22-11-9-17)13-15-4-7-18(20)19(21)12-15/h2-7,12,17,22H,8-11,13H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine?
N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine has a molecular weight of 349.31 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 23137586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).