N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine

C17H27FN2 — CID 62593105

IUPACN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H27FN2/c1-17(2,3)19-12-14-7-9-20(10-8-14)13-15-5-4-6-16(18)11-15/h4-6,11,14,19H,7-10,12-13H2,1-3H3
InChIKeyDTWXUHHGBXEKSS-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.43
Rot. Bonds4

About N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62593105) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62593105
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H27FN2/c1-17(2,3)19-12-14-7-9-20(10-8-14)13-15-5-4-6-16(18)11-15/h4-6,11,14,19H,7-10,12-13H2,1-3H3
InChIKeyDTWXUHHGBXEKSS-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62593443
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592584
2-methyl-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62593458
N-[[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 102856195
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 63854996
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
2-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591872
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
2-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692849
N-[(3-fluorophenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]aniline
CID 83960926
2,2,2-trifluoro-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 83983429

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine (CID 62593105) is N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is DTWXUHHGBXEKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-17(2,3)19-12-14-7-9-20(10-8-14)13-15-5-4-6-16(18)11-15/h4-6,11,14,19H,7-10,12-13H2,1-3H3.
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 278.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62593105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).