N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene

C21H28F2N2 — CID 143196331

IUPACN-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene
SMILESCc1cc(F)cc(F)c1.c1ccc(CNCCC2CCCCN2)cc1
InChIInChI=1S/C14H22N2.C7H6F2/c1-2-6-13(7-3-1)12-15-11-9-14-8-4-5-10-16-14;1-5-2-6(8)4-7(9)3-5/h1-3,6-7,14-16H,4-5,8-12H2;2-4H,1H3
InChIKeyVYXOQLGVGHIRIF-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.58
Rot. Bonds5

About N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene

N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene (PubChem CID 143196331) has the molecular formula C21H28F2N2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene.

Molecular Properties

Compound NameN-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene
PubChem CID143196331
Molecular FormulaC21H28F2N2
Molecular Weight346.47 g/mol
Exact Mass346.22
IUPAC NameN-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene
SMILESCc1cc(F)cc(F)c1.c1ccc(CNCCC2CCCCN2)cc1
InChIInChI=1S/C14H22N2.C7H6F2/c1-2-6-13(7-3-1)12-15-11-9-14-8-4-5-10-16-14;1-5-2-6(8)4-7(9)3-5/h1-3,6-7,14-16H,4-5,8-12H2;2-4H,1H3
InChIKeyVYXOQLGVGHIRIF-UHFFFAOYSA-N
XLogP4.58
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211084
N-[(2,4-dimethylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 115211094
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211164
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210269
N-[(2-chloro-5-fluoro-4-methylphenyl)methyl]-2-piperidin-2-ylethanamine
CID 117045063
N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210337
N-benzyl-2-(4-propylpiperidin-2-yl)ethanamine
CID 143196342
1,3-difluoro-5-methylbenzene;N-[3-[(3-ethylphenyl)methylamino]-2-hydroxypropyl]-2-piperidin-2-ylacetamide
CID 142242318
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-pyrrolidin-2-ylethanamine
CID 115210410
3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea
CID 107653392
2-[2-(3-methylphenyl)ethyl]azepane
CID 62544067

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene?
The IUPAC name of N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene (CID 143196331) is N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene.
What is the SMILES notation for N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene?
The canonical SMILES for N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene is Cc1cc(F)cc(F)c1.c1ccc(CNCCC2CCCCN2)cc1.
What is the InChIKey of N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene?
The InChIKey is VYXOQLGVGHIRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2.C7H6F2/c1-2-6-13(7-3-1)12-15-11-9-14-8-4-5-10-16-14;1-5-2-6(8)4-7(9)3-5/h1-3,6-7,14-16H,4-5,8-12H2;2-4H,1H3.
What are the key properties of N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene?
N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene has a molecular weight of 346.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-piperidin-2-ylethanamine;1,3-difluoro-5-methylbenzene is sourced from PubChem (CID 143196331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).