N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine

C22H28F2N2 — CID 134215408

IUPACN-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(CCN2CCC(N(C)Cc3ccccc3)C(F)(F)C2)cc1
InChIInChI=1S/C22H28F2N2/c1-18-8-10-19(11-9-18)12-14-26-15-13-21(22(23,24)17-26)25(2)16-20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3
InChIKeyDTGBKIBXXPUYSF-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.38
Rot. Bonds6

About N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine

N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine (PubChem CID 134215408) has the molecular formula C22H28F2N2 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine
PubChem CID134215408
Molecular FormulaC22H28F2N2
Molecular Weight358.48 g/mol
Exact Mass358.22
IUPAC NameN-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine
SMILESCc1ccc(CCN2CCC(N(C)Cc3ccccc3)C(F)(F)C2)cc1
InChIInChI=1S/C22H28F2N2/c1-18-8-10-19(11-9-18)12-14-26-15-13-21(22(23,24)17-26)25(2)16-20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3
InChIKeyDTGBKIBXXPUYSF-UHFFFAOYSA-N
XLogP4.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,3-difluoro-1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 134215405
3,3-dimethyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120776449
N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 118109308
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
N-[(1-fluorocyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 136538799
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 107269988
N,1-dimethyl-N-[(4-methylphenyl)methyl]piperidin-4-amine
CID 792378
5-(2-phenylethyl)-5-azaspiro[2.4]heptane
CID 142337171
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
(3S)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-ol
CID 111434356
3,3-difluoro-N-methyl-1-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-4-amine
CID 122445265
3,3-dimethyl-1-(2-phenylethyl)piperidine-4-carbonitrile
CID 117024510

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine (CID 134215408) is N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine is Cc1ccc(CCN2CCC(N(C)Cc3ccccc3)C(F)(F)C2)cc1.
What is the InChIKey of N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine?
The InChIKey is DTGBKIBXXPUYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F2N2/c1-18-8-10-19(11-9-18)12-14-26-15-13-21(22(23,24)17-26)25(2)16-20-6-4-3-5-7-20/h3-11,21H,12-17H2,1-2H3.
What are the key properties of N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine?
N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine has a molecular weight of 358.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,3-difluoro-N-methyl-1-[2-(4-methylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 134215408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).