2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine

C15H21NO — CID 66362602

IUPAC2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
SMILESCc1ccc2c(c1)CC(CC1CCCCN1)O2
InChIInChI=1S/C15H21NO/c1-11-5-6-15-12(8-11)9-14(17-15)10-13-4-2-3-7-16-13/h5-6,8,13-14,16H,2-4,7,9-10H2,1H3
InChIKeyLDMBNWDBXJDHGP-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.83
Rot. Bonds2

About 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine

2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine (PubChem CID 66362602) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
PubChem CID66362602
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
SMILESCc1ccc2c(c1)CC(CC1CCCCN1)O2
InChIInChI=1S/C15H21NO/c1-11-5-6-15-12(8-11)9-14(17-15)10-13-4-2-3-7-16-13/h5-6,8,13-14,16H,2-4,7,9-10H2,1H3
InChIKeyLDMBNWDBXJDHGP-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]piperidine
CID 66361968
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
CID 66361100
3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptan-1-ol
CID 66394093
2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66361620
2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360655
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
2-[3-chloro-2-(chloromethyl)-2-cyclopentylpropyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 115927181
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexan-1-ol
CID 66360581
N-[2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]propan-2-amine
CID 66360873
N-ethyl-4-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)butan-1-amine
CID 66393308

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine?
The IUPAC name of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine (CID 66362602) is 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine.
What is the SMILES notation for 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine?
The canonical SMILES for 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine is Cc1ccc2c(c1)CC(CC1CCCCN1)O2.
What is the InChIKey of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine?
The InChIKey is LDMBNWDBXJDHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-5-6-15-12(8-11)9-14(17-15)10-13-4-2-3-7-16-13/h5-6,8,13-14,16H,2-4,7,9-10H2,1H3.
What are the key properties of 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine?
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine has a molecular weight of 231.34 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine is sourced from PubChem (CID 66362602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).