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

C18H29FN2 — CID 106625188

IUPAC1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
SMILESCCCN(CC1CCCNC1)C(C)Cc1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-3-10-21(14-17-7-5-9-20-13-17)15(2)11-16-6-4-8-18(19)12-16/h4,6,8,12,15,17,20H,3,5,7,9-11,13-14H2,1-2H3
InChIKeyGPMXIIDXKZVZMI-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.47
Rot. Bonds7

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

1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine (PubChem CID 106625188) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
PubChem CID106625188
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
SMILESCCCN(CC1CCCNC1)C(C)Cc1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-3-10-21(14-17-7-5-9-20-13-17)15(2)11-16-6-4-8-18(19)12-16/h4,6,8,12,15,17,20H,3,5,7,9-11,13-14H2,1-2H3
InChIKeyGPMXIIDXKZVZMI-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625264
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625272
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
3-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]benzonitrile
CID 106625324
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
CID 106625108
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
CID 119464064
N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide
CID 106628805
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637553

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine (CID 106625188) is 1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine is CCCN(CC1CCCNC1)C(C)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine?
The InChIKey is GPMXIIDXKZVZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-10-21(14-17-7-5-9-20-13-17)15(2)11-16-6-4-8-18(19)12-16/h4,6,8,12,15,17,20H,3,5,7,9-11,13-14H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine?
1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 3.47, 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-3-ylmethyl)-N-propylpropan-2-amine is sourced from PubChem (CID 106625188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).