N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine

C14H20F2N2 — CID 83993100

IUPACN-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCC(F)F)C2)cc1
InChIInChI=1S/C14H20F2N2/c1-11-4-6-13(7-5-11)18-8-2-3-12(10-18)17-9-14(15)16/h4-7,12,14,17H,2-3,8-10H2,1H3
InChIKeyYJISVGIEIXSTOU-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.82
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine

N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine (PubChem CID 83993100) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine
PubChem CID83993100
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine
SMILESCc1ccc(N2CCCC(NCC(F)F)C2)cc1
InChIInChI=1S/C14H20F2N2/c1-11-4-6-13(7-5-11)18-8-2-3-12(10-18)17-9-14(15)16/h4-7,12,14,17H,2-3,8-10H2,1H3
InChIKeyYJISVGIEIXSTOU-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83993075
N-benzyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993791
(3R)-N-methyl-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285994
(1S,5R)-N-[1-(4-methylphenyl)piperidin-3-yl]-3-azabicyclo[3.2.0]heptane-3-sulfonamide
CID 166271940
1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)piperidin-3-yl]urea
CID 111508504
N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
CID 83993084
N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine
CID 83996571
1-[(3-hydroxycyclohexyl)methyl]-3-[1-(4-methylphenyl)piperidin-3-yl]urea
CID 111508510
2-methyl-1-[1-(4-methylphenyl)piperidin-3-yl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111998015
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498
N-propyl-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 63180231

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine (CID 83993100) is N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine is Cc1ccc(N2CCCC(NCC(F)F)C2)cc1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine?
The InChIKey is YJISVGIEIXSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-11-4-6-13(7-5-11)18-8-2-3-12(10-18)17-9-14(15)16/h4-7,12,14,17H,2-3,8-10H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine?
N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine has a molecular weight of 254.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 83993100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).