1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol

C19H30N2O2 — CID 111423505

IUPAC1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol
SMILESCC1(C)Cc2cc(CNCCCN3CCC(O)CC3)ccc2O1
InChIInChI=1S/C19H30N2O2/c1-19(2)13-16-12-15(4-5-18(16)23-19)14-20-8-3-9-21-10-6-17(22)7-11-21/h4-5,12,17,20,22H,3,6-11,13-14H2,1-2H3
InChIKeyLHXWRYIGBLZOIX-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.34
Rot. Bonds6

About 1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol

1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol (PubChem CID 111423505) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol
PubChem CID111423505
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol
SMILESCC1(C)Cc2cc(CNCCCN3CCC(O)CC3)ccc2O1
InChIInChI=1S/C19H30N2O2/c1-19(2)13-16-12-15(4-5-18(16)23-19)14-20-8-3-9-21-10-6-17(22)7-11-21/h4-5,12,17,20,22H,3,6-11,13-14H2,1-2H3
InChIKeyLHXWRYIGBLZOIX-UHFFFAOYSA-N
XLogP2.34
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115639598
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 63270798
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520
3-benzylsulfonyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 119121928
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-methylsulfanylethanamine
CID 63378459
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 119127897
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-ethylpiperidin-4-amine
CID 63271340
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115614218
N-[2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]ethyl]methanesulfonamide
CID 63271377
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
2-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]propan-1-amine
CID 115614307

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol (CID 111423505) is 1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol is CC1(C)Cc2cc(CNCCCN3CCC(O)CC3)ccc2O1.
What is the InChIKey of 1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol?
The InChIKey is LHXWRYIGBLZOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2)13-16-12-15(4-5-18(16)23-19)14-20-8-3-9-21-10-6-17(22)7-11-21/h4-5,12,17,20,22H,3,6-11,13-14H2,1-2H3.
What are the key properties of 1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol?
1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol has a molecular weight of 318.46 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 111423505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).