4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol

C16H26N2O — CID 79986742

IUPAC4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol
SMILESCC1CC(N)CN(C(C)CCc2ccc(O)cc2)C1
InChIInChI=1S/C16H26N2O/c1-12-9-15(17)11-18(10-12)13(2)3-4-14-5-7-16(19)8-6-14/h5-8,12-13,15,19H,3-4,9-11,17H2,1-2H3
InChIKeyVDWZKUOSAKHGJB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.38
Rot. Bonds4

About 4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol

4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol (PubChem CID 79986742) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol.

Molecular Properties

Compound Name4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol
PubChem CID79986742
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol
SMILESCC1CC(N)CN(C(C)CCc2ccc(O)cc2)C1
InChIInChI=1S/C16H26N2O/c1-12-9-15(17)11-18(10-12)13(2)3-4-14-5-7-16(19)8-6-14/h5-8,12-13,15,19H,3-4,9-11,17H2,1-2H3
InChIKeyVDWZKUOSAKHGJB-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol?
The IUPAC name of 4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol (CID 79986742) is 4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol.
What is the SMILES notation for 4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol?
The canonical SMILES for 4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol is CC1CC(N)CN(C(C)CCc2ccc(O)cc2)C1.
What is the InChIKey of 4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol?
The InChIKey is VDWZKUOSAKHGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-15(17)11-18(10-12)13(2)3-4-14-5-7-16(19)8-6-14/h5-8,12-13,15,19H,3-4,9-11,17H2,1-2H3.
What are the key properties of 4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol?
4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-amino-5-methylpiperidin-1-yl)butyl]phenol is sourced from PubChem (CID 79986742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).