1-benzyl-N-(2-fluoroethyl)piperidin-3-amine

C14H21FN2 — CID 80695683

IUPAC1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
SMILESFCCNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H21FN2/c15-8-9-16-14-7-4-10-17(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeySXKDBFWTTTVJLD-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.21
Rot. Bonds5

About 1-benzyl-N-(2-fluoroethyl)piperidin-3-amine

1-benzyl-N-(2-fluoroethyl)piperidin-3-amine (PubChem CID 80695683) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-benzyl-N-(2-fluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
PubChem CID80695683
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
SMILESFCCNC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C14H21FN2/c15-8-9-16-14-7-4-10-17(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
InChIKeySXKDBFWTTTVJLD-UHFFFAOYSA-N
XLogP2.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-benzylpiperidin-3-yl)amino]pentan-3-ol
CID 115729123
N-[2-[(1-benzylpiperidin-3-yl)amino]ethyl]acetamide
CID 43145152
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-benzyl-N-(3-ethenoxypropyl)piperidin-3-amine
CID 43145154
N'-[(3S)-1-benzylpyrrolidin-3-yl]propane-1,3-diamine
CID 54251680
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
CID 83488648
1-benzyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 55025121
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol
CID 65105573
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
1-benzyl-N-(2-methylsulfinylpropyl)piperidin-3-amine
CID 115896173

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-fluoroethyl)piperidin-3-amine?
The IUPAC name of 1-benzyl-N-(2-fluoroethyl)piperidin-3-amine (CID 80695683) is 1-benzyl-N-(2-fluoroethyl)piperidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(2-fluoroethyl)piperidin-3-amine?
The canonical SMILES for 1-benzyl-N-(2-fluoroethyl)piperidin-3-amine is FCCNC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-fluoroethyl)piperidin-3-amine?
The InChIKey is SXKDBFWTTTVJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-8-9-16-14-7-4-10-17(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2.
What are the key properties of 1-benzyl-N-(2-fluoroethyl)piperidin-3-amine?
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-fluoroethyl)piperidin-3-amine is sourced from PubChem (CID 80695683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).