3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine

C12H18FN3 — CID 105480875

IUPAC3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine
SMILESNCC1(Nc2ccc(F)cc2)CCCNC1
InChIInChI=1S/C12H18FN3/c13-10-2-4-11(5-3-10)16-12(8-14)6-1-7-15-9-12/h2-5,15-16H,1,6-9,14H2
InChIKeyRKAJZRMWZHQJOP-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.32
Rot. Bonds3

About 3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine

3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine (PubChem CID 105480875) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine
PubChem CID105480875
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine
SMILESNCC1(Nc2ccc(F)cc2)CCCNC1
InChIInChI=1S/C12H18FN3/c13-10-2-4-11(5-3-10)16-12(8-14)6-1-7-15-9-12/h2-5,15-16H,1,6-9,14H2
InChIKeyRKAJZRMWZHQJOP-UHFFFAOYSA-N
XLogP1.32
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine (CID 105480875) is 3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine is NCC1(Nc2ccc(F)cc2)CCCNC1.
What is the InChIKey of 3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine?
The InChIKey is RKAJZRMWZHQJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c13-10-2-4-11(5-3-10)16-12(8-14)6-1-7-15-9-12/h2-5,15-16H,1,6-9,14H2.
What are the key properties of 3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine?
3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine has a molecular weight of 223.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-fluorophenyl)piperidin-3-amine is sourced from PubChem (CID 105480875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).