1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol

C14H24N2O2 — CID 81097054

IUPAC1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol
SMILESCCC(N)C(c1ccco1)N1CCC(C)(O)CC1
InChIInChI=1S/C14H24N2O2/c1-3-11(15)13(12-5-4-10-18-12)16-8-6-14(2,17)7-9-16/h4-5,10-11,13,17H,3,6-9,15H2,1-2H3
InChIKeyTURBGMSLSZFHCV-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol

1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol (PubChem CID 81097054) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol
PubChem CID81097054
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol
SMILESCCC(N)C(c1ccco1)N1CCC(C)(O)CC1
InChIInChI=1S/C14H24N2O2/c1-3-11(15)13(12-5-4-10-18-12)16-8-6-14(2,17)7-9-16/h4-5,10-11,13,17H,3,6-9,15H2,1-2H3
InChIKeyTURBGMSLSZFHCV-UHFFFAOYSA-N
XLogP1.90
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol (CID 81097054) is 1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol is CCC(N)C(c1ccco1)N1CCC(C)(O)CC1.
What is the InChIKey of 1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol?
The InChIKey is TURBGMSLSZFHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-11(15)13(12-5-4-10-18-12)16-8-6-14(2,17)7-9-16/h4-5,10-11,13,17H,3,6-9,15H2,1-2H3.
What are the key properties of 1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol?
1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol has a molecular weight of 252.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).