1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine

C18H29FN2 — CID 106623292

IUPAC1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
SMILESCCCN(CC1CCCCN1)C(C)Cc1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-3-11-21(14-18-9-4-5-10-20-18)15(2)12-16-7-6-8-17(19)13-16/h6-8,13,15,18,20H,3-5,9-12,14H2,1-2H3
InChIKeyQJCHWPLJIANCCA-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.61
Rot. Bonds7

About 1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine

1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine (PubChem CID 106623292) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
PubChem CID106623292
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
SMILESCCCN(CC1CCCCN1)C(C)Cc1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-3-11-21(14-18-9-4-5-10-20-18)15(2)12-16-7-6-8-17(19)13-16/h6-8,13,15,18,20H,3-5,9-12,14H2,1-2H3
InChIKeyQJCHWPLJIANCCA-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625188
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625837
N-ethyl-1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622443
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606881
N-[1-(2-fluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623204
1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-1-amine
CID 106623207
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621509
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605110

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine (CID 106623292) is 1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine is CCCN(CC1CCCCN1)C(C)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine?
The InChIKey is QJCHWPLJIANCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-11-21(14-18-9-4-5-10-20-18)15(2)12-16-7-6-8-17(19)13-16/h6-8,13,15,18,20H,3-5,9-12,14H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine?
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine is sourced from PubChem (CID 106623292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).