4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol

C17H28N2O — CID 103351995

IUPAC4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
SMILESCCC1CCN(C(CC)c2ccc(O)cc2)C(CN)C1
InChIInChI=1S/C17H28N2O/c1-3-13-9-10-19(15(11-13)12-18)17(4-2)14-5-7-16(20)8-6-14/h5-8,13,15,17,20H,3-4,9-12,18H2,1-2H3
InChIKeyUWMCKXRLORREIT-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.29
Rot. Bonds5

About 4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol

4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol (PubChem CID 103351995) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol.

Molecular Properties

Compound Name4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
PubChem CID103351995
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol
SMILESCCC1CCN(C(CC)c2ccc(O)cc2)C(CN)C1
InChIInChI=1S/C17H28N2O/c1-3-13-9-10-19(15(11-13)12-18)17(4-2)14-5-7-16(20)8-6-14/h5-8,13,15,17,20H,3-4,9-12,18H2,1-2H3
InChIKeyUWMCKXRLORREIT-UHFFFAOYSA-N
XLogP3.29
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol?
The IUPAC name of 4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol (CID 103351995) is 4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol.
What is the SMILES notation for 4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol?
The canonical SMILES for 4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol is CCC1CCN(C(CC)c2ccc(O)cc2)C(CN)C1.
What is the InChIKey of 4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol?
The InChIKey is UWMCKXRLORREIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-13-9-10-19(15(11-13)12-18)17(4-2)14-5-7-16(20)8-6-14/h5-8,13,15,17,20H,3-4,9-12,18H2,1-2H3.
What are the key properties of 4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol?
4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]propyl]phenol is sourced from PubChem (CID 103351995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).