[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride

C16H25ClN2O — CID 119915626

IUPAC[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C16H24N2O.ClH/c17-11-14-2-1-7-18(12-14)8-5-13-3-4-16-15(10-13)6-9-19-16;/h3-4,10,14H,1-2,5-9,11-12,17H2;1H
InChIKeyBPCNFJYBJPQGCM-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.26
Rot. Bonds4

About [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride

[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119915626) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID119915626
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(CCc2ccc3c(c2)CCO3)C1
InChIInChI=1S/C16H24N2O.ClH/c17-11-14-2-1-7-18(12-14)8-5-13-3-4-16-15(10-13)6-9-19-16;/h3-4,10,14H,1-2,5-9,11-12,17H2;1H
InChIKeyBPCNFJYBJPQGCM-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]ethanol
CID 115665607
3-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidine
CID 154807715
(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-ol
CID 46220656
3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methyl]-3-phenyl-1H-indol-2-one;hydrochloride
CID 139845156
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]acetamide
CID 171130329
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpyrrolidine
CID 173048470
4-chloro-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine
CID 65445385
4-(aminomethyl)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-2-one
CID 83552164
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80506838
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892101
[(3R)-1-(2-phenylethyl)piperidin-3-yl]methanamine
CID 7219815
N-[[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240821

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride (CID 119915626) is [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(CCc2ccc3c(c2)CCO3)C1.
What is the InChIKey of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is BPCNFJYBJPQGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c17-11-14-2-1-7-18(12-14)8-5-13-3-4-16-15(10-13)6-9-19-16;/h3-4,10,14H,1-2,5-9,11-12,17H2;1H.
What are the key properties of [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119915626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).