N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine

C18H29FN2 — CID 83995163

IUPACN-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
SMILESCCC1CC(NCC(C)(C)C)CN(c2cccc(F)c2)C1
InChIInChI=1S/C18H29FN2/c1-5-14-9-16(20-13-18(2,3)4)12-21(11-14)17-8-6-7-15(19)10-17/h6-8,10,14,16,20H,5,9,11-13H2,1-4H3
InChIKeyASBDDJUNDMCRAJ-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.07
Rot. Bonds4

About N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine

N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine (PubChem CID 83995163) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
PubChem CID83995163
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
SMILESCCC1CC(NCC(C)(C)C)CN(c2cccc(F)c2)C1
InChIInChI=1S/C18H29FN2/c1-5-14-9-16(20-13-18(2,3)4)12-21(11-14)17-8-6-7-15(19)10-17/h6-8,10,14,16,20H,5,9,11-13H2,1-4H3
InChIKeyASBDDJUNDMCRAJ-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
CID 83995125
N-(2,2-difluoroethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83993088
N-(cyclopentylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83997929
N-cyclopropyl-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83991724
N-(cyclohexylmethyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83998621
2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83995129
N-(cyclopentylmethyl)-1-(3-fluorophenyl)-5-methylpiperidin-3-amine
CID 83997928
N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83994969
N-[[3-(3-ethylazetidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106913534
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167
(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
CID 58836526
N-benzyl-5-ethyl-1-(4-methylphenyl)piperidin-3-amine
CID 83993793

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine (CID 83995163) is N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine is CCC1CC(NCC(C)(C)C)CN(c2cccc(F)c2)C1.
What is the InChIKey of N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
The InChIKey is ASBDDJUNDMCRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-14-9-16(20-13-18(2,3)4)12-21(11-14)17-8-6-7-15(19)10-17/h6-8,10,14,16,20H,5,9,11-13H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine?
N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine has a molecular weight of 292.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine is sourced from PubChem (CID 83995163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).