(7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol

C15H19NO2 — CID 114724344

IUPAC(7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol
SMILESCc1cccc2cc(C(O)C3CCCNC3)oc12
InChIInChI=1S/C15H19NO2/c1-10-4-2-5-11-8-13(18-15(10)11)14(17)12-6-3-7-16-9-12/h2,4-5,8,12,14,16-17H,3,6-7,9H2,1H3
InChIKeyYWSXNQRURAQDIS-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.77
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol

(7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol (PubChem CID 114724344) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol
PubChem CID114724344
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol
SMILESCc1cccc2cc(C(O)C3CCCNC3)oc12
InChIInChI=1S/C15H19NO2/c1-10-4-2-5-11-8-13(18-15(10)11)14(17)12-6-3-7-16-9-12/h2,4-5,8,12,14,16-17H,3,6-7,9H2,1H3
InChIKeyYWSXNQRURAQDIS-UHFFFAOYSA-N
XLogP2.77
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114726715
cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723714
(7-chloro-1-benzofuran-2-yl)-cyclopentylmethanol
CID 114723689
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
CID 79023931
(4-fluoro-2-methylphenyl)-piperidin-3-ylmethanol
CID 80560290
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
(7-methyl-1-benzofuran-2-yl)-(1-methylcyclopentyl)methanol
CID 115836488
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-1-(oxan-3-yl)methanamine
CID 114729155
3,3,3-trifluoro-1-(7-methyl-1-benzofuran-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312648

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol (CID 114724344) is (7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol is Cc1cccc2cc(C(O)C3CCCNC3)oc12.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol?
The InChIKey is YWSXNQRURAQDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-4-2-5-11-8-13(18-15(10)11)14(17)12-6-3-7-16-9-12/h2,4-5,8,12,14,16-17H,3,6-7,9H2,1H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol?
(7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol has a molecular weight of 245.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol is sourced from PubChem (CID 114724344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).