3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine

C14H21FN2 — CID 81457034

IUPAC3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2ccc(F)cc2)CCC1N
InChIInChI=1S/C14H21FN2/c1-2-12-10-17(8-7-14(12)16)9-11-3-5-13(15)6-4-11/h3-6,12,14H,2,7-10,16H2,1H3
InChIKeyYIAUZRJWTRBGOQ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.38
Rot. Bonds3

About 3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine

3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 81457034) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
PubChem CID81457034
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2ccc(F)cc2)CCC1N
InChIInChI=1S/C14H21FN2/c1-2-12-10-17(8-7-14(12)16)9-11-3-5-13(15)6-4-11/h3-6,12,14H,2,7-10,16H2,1H3
InChIKeyYIAUZRJWTRBGOQ-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine
CID 114453815
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 81457375
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate
CID 81457170
2-(4-amino-3-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 81451256
3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine
CID 81457613
(3R)-N-ethyl-1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine
CID 59641914
3-ethyl-1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81457828
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
CID 83986159
1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575513
3-ethyl-1-(pyrimidin-2-ylmethyl)piperidin-4-amine
CID 81460638

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine (CID 81457034) is 3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine is CCC1CN(Cc2ccc(F)cc2)CCC1N.
What is the InChIKey of 3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is YIAUZRJWTRBGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-2-12-10-17(8-7-14(12)16)9-11-3-5-13(15)6-4-11/h3-6,12,14H,2,7-10,16H2,1H3.
What are the key properties of 3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine?
3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 236.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 81457034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).