3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol

C16H26N2O — CID 118239135

IUPAC3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol
SMILESCC(C)C(N)CN1CCC(c2cccc(O)c2)CC1
InChIInChI=1S/C16H26N2O/c1-12(2)16(17)11-18-8-6-13(7-9-18)14-4-3-5-15(19)10-14/h3-5,10,12-13,16,19H,6-9,11,17H2,1-2H3
InChIKeyQUBLASRHCGGFDO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.55
Rot. Bonds4

About 3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol

3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol (PubChem CID 118239135) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol
PubChem CID118239135
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol
SMILESCC(C)C(N)CN1CCC(c2cccc(O)c2)CC1
InChIInChI=1S/C16H26N2O/c1-12(2)16(17)11-18-8-6-13(7-9-18)14-4-3-5-15(19)10-14/h3-5,10,12-13,16,19H,6-9,11,17H2,1-2H3
InChIKeyQUBLASRHCGGFDO-UHFFFAOYSA-N
XLogP2.55
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol?
The IUPAC name of 3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol (CID 118239135) is 3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol is CC(C)C(N)CN1CCC(c2cccc(O)c2)CC1.
What is the InChIKey of 3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol?
The InChIKey is QUBLASRHCGGFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)16(17)11-18-8-6-13(7-9-18)14-4-3-5-15(19)10-14/h3-5,10,12-13,16,19H,6-9,11,17H2,1-2H3.
What are the key properties of 3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol?
3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-amino-3-methylbutyl)piperidin-4-yl]phenol is sourced from PubChem (CID 118239135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).