N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine

C20H25FN2 — CID 754317

IUPACN-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2/c1-22(15-17-5-3-2-4-6-17)20-11-13-23(14-12-20)16-18-7-9-19(21)10-8-18/h2-10,20H,11-16H2,1H3
InChIKeyINFVHZQTTPPRFA-UHFFFAOYSA-N
MW312.43 g/mol
LogP3.92
Rot. Bonds5

About N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine

N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 754317) has the molecular formula C20H25FN2 and a molecular weight of 312.43 g/mol. Its IUPAC name is N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID754317
Molecular FormulaC20H25FN2
Molecular Weight312.43 g/mol
Exact Mass312.20
IUPAC NameN-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine
SMILESCN(Cc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C20H25FN2/c1-22(15-17-5-3-2-4-6-17)20-11-13-23(14-12-20)16-18-7-9-19(21)10-8-18/h2-10,20H,11-16H2,1H3
InChIKeyINFVHZQTTPPRFA-UHFFFAOYSA-N
XLogP3.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidin-4-amine
CID 806863
N-benzyl-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754214
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 2910855
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
CID 141100659
N,N-diethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 168961754
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
1-benzyl-N,N-dicyclopropylpiperidin-4-amine
CID 11097616
3-[(1-benzylpiperidin-4-yl)-methylamino]propan-1-ol
CID 22712052
4-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]benzoic acid
CID 122035291
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine (CID 754317) is N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine is CN(Cc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is INFVHZQTTPPRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2/c1-22(15-17-5-3-2-4-6-17)20-11-13-23(14-12-20)16-18-7-9-19(21)10-8-18/h2-10,20H,11-16H2,1H3.
What are the key properties of N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine?
N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 312.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4-fluorophenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 754317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).