N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine

C20H25FN2 — CID 5184956

IUPACN-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
SMILESCc1cc(C)cc(NC2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H25FN2/c1-15-11-16(2)13-20(12-15)22-19-7-9-23(10-8-19)14-17-3-5-18(21)6-4-17/h3-6,11-13,19,22H,7-10,14H2,1-2H3
InChIKeyANDABLCVYBYRBR-UHFFFAOYSA-N
MW312.43 g/mol
LogP4.52
Rot. Bonds4

About N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine

N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 5184956) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
PubChem CID5184956
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC NameN-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
SMILESCc1cc(C)cc(NC2CCN(Cc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H25FN2/c1-15-11-16(2)13-20(12-15)22-19-7-9-23(10-8-19)14-17-3-5-18(21)6-4-17/h3-6,11-13,19,22H,7-10,14H2,1-2H3
InChIKeyANDABLCVYBYRBR-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
1-[(4-ethoxyphenyl)methyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 4551536
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 59641914
4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperidine
CID 174420466
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-7-(2,4,6-trimethylphenoxy)-[1,2,4]triazolo[1,5-a]pyrimidin-5-amine
CID 118732257
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
CID 4035657
1-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidin-4-amine
CID 43684534
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine (CID 5184956) is N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine is Cc1cc(C)cc(NC2CCN(Cc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is ANDABLCVYBYRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-15-11-16(2)13-20(12-15)22-19-7-9-23(10-8-19)14-17-3-5-18(21)6-4-17/h3-6,11-13,19,22H,7-10,14H2,1-2H3.
What are the key properties of N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 312.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 5184956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).