1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine

C16H25FN2 — CID 83990912

IUPAC1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine
SMILESCCCNC1CC(C)CN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-3-8-18-16-9-13(2)10-19(12-16)11-14-4-6-15(17)7-5-14/h4-7,13,16,18H,3,8-12H2,1-2H3
InChIKeyIWOCJQLYOXCOGJ-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.04
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine

1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine (PubChem CID 83990912) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine
PubChem CID83990912
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine
SMILESCCCNC1CC(C)CN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C16H25FN2/c1-3-8-18-16-9-13(2)10-19(12-16)11-14-4-6-15(17)7-5-14/h4-7,13,16,18H,3,8-12H2,1-2H3
InChIKeyIWOCJQLYOXCOGJ-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83993582
N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83997039
tert-butyl N-[1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112544389
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 59641914
N-(2,2-dimethylpropyl)-1-[(3-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83994969
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
3-[(4-fluorophenyl)methyl]-N-propylcyclopentan-1-amine
CID 64503574
1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997025
4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 79015530
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
ethyl N-[5-methyl-1-[(4-methylphenyl)methyl]piperidin-3-yl]carbamate
CID 112543749

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine (CID 83990912) is 1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine is CCCNC1CC(C)CN(Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine?
The InChIKey is IWOCJQLYOXCOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-8-18-16-9-13(2)10-19(12-16)11-14-4-6-15(17)7-5-14/h4-7,13,16,18H,3,8-12H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine?
1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine has a molecular weight of 264.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-methyl-N-propylpiperidin-3-amine is sourced from PubChem (CID 83990912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).