4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol

C18H30N2O — CID 103351984

IUPAC4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol
SMILESCCC1CCN(C(C)CCc2ccc(O)cc2)C(CN)C1
InChIInChI=1S/C18H30N2O/c1-3-15-10-11-20(17(12-15)13-19)14(2)4-5-16-6-8-18(21)9-7-16/h6-9,14-15,17,21H,3-5,10-13,19H2,1-2H3
InChIKeyYSGWXEOIDLERFP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.16
Rot. Bonds6

About 4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol

4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol (PubChem CID 103351984) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol.

Molecular Properties

Compound Name4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol
PubChem CID103351984
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol
SMILESCCC1CCN(C(C)CCc2ccc(O)cc2)C(CN)C1
InChIInChI=1S/C18H30N2O/c1-3-15-10-11-20(17(12-15)13-19)14(2)4-5-16-6-8-18(21)9-7-16/h6-9,14-15,17,21H,3-5,10-13,19H2,1-2H3
InChIKeyYSGWXEOIDLERFP-UHFFFAOYSA-N
XLogP3.16
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol?
The IUPAC name of 4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol (CID 103351984) is 4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol.
What is the SMILES notation for 4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol?
The canonical SMILES for 4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol is CCC1CCN(C(C)CCc2ccc(O)cc2)C(CN)C1.
What is the InChIKey of 4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol?
The InChIKey is YSGWXEOIDLERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-15-10-11-20(17(12-15)13-19)14(2)4-5-16-6-8-18(21)9-7-16/h6-9,14-15,17,21H,3-5,10-13,19H2,1-2H3.
What are the key properties of 4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol?
4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol has a molecular weight of 290.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butyl]phenol is sourced from PubChem (CID 103351984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).