N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine

C18H29FN2 — CID 83994969

IUPACN-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(NCC(C)(C)C)CN(Cc2cccc(F)c2)C1
InChIInChI=1S/C18H29FN2/c1-14-8-17(20-13-18(2,3)4)12-21(10-14)11-15-6-5-7-16(19)9-15/h5-7,9,14,17,20H,8,10-13H2,1-4H3
InChIKeyOWHSYWWVRLKCHN-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.67
Rot. Bonds4

About N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine

N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine (PubChem CID 83994969) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine
PubChem CID83994969
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(NCC(C)(C)C)CN(Cc2cccc(F)c2)C1
InChIInChI=1S/C18H29FN2/c1-14-8-17(20-13-18(2,3)4)12-21(10-14)11-15-6-5-7-16(19)9-15/h5-7,9,14,17,20H,8,10-13H2,1-4H3
InChIKeyOWHSYWWVRLKCHN-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542187
ethyl N-[1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112543752
N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83993582
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423584
1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine
CID 83990912
N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83995163
N-(cyclobutylmethyl)-5-methyl-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 83997030
5-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 131658032
N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83997039
3-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]benzoic acid
CID 40801162
(3aR,6aS)-2-[(3-fluorophenyl)methyl]-N-pyridazin-3-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 175791551

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine (CID 83994969) is N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine is CC1CC(NCC(C)(C)C)CN(Cc2cccc(F)c2)C1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is OWHSYWWVRLKCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-14-8-17(20-13-18(2,3)4)12-21(10-14)11-15-6-5-7-16(19)9-15/h5-7,9,14,17,20H,8,10-13H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine?
N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 292.44 g/mol, XLogP of 3.67, 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)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 83994969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).