N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine

C14H19Cl2FN2 — CID 107572762

IUPACN-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(Cl)c(F)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2FN2/c1-2-5-19-6-3-10(4-7-19)18-11-8-12(15)14(17)13(16)9-11/h8-10,18H,2-7H2,1H3
InChIKeyPXNIWGHMAXKAJE-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.42
Rot. Bonds4

About N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine

N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine (PubChem CID 107572762) has the molecular formula C14H19Cl2FN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
PubChem CID107572762
Molecular FormulaC14H19Cl2FN2
Molecular Weight305.22 g/mol
Exact Mass304.09
IUPAC NameN-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2cc(Cl)c(F)c(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2FN2/c1-2-5-19-6-3-10(4-7-19)18-11-8-12(15)14(17)13(16)9-11/h8-10,18H,2-7H2,1H3
InChIKeyPXNIWGHMAXKAJE-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571
3,5-dichloro-4-fluoro-N-(4-methylcyclohexyl)aniline
CID 107572849
N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
CID 107572074
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43736426
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
N-(3,5-dichloro-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 107572556
3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine
CID 104533592
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine
CID 43714560
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
N-(3-hydrazinyl-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 80901769

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine (CID 107572762) is N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2cc(Cl)c(F)c(Cl)c2)CC1.
What is the InChIKey of N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine?
The InChIKey is PXNIWGHMAXKAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2FN2/c1-2-5-19-6-3-10(4-7-19)18-11-8-12(15)14(17)13(16)9-11/h8-10,18H,2-7H2,1H3.
What are the key properties of N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine?
N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine has a molecular weight of 305.22 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 107572762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).