[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride

C15H21ClN2O2 — CID 119423730

IUPAC[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C15H20N2O2.ClH/c16-8-11-3-5-17(6-4-11)15(18)12-1-2-13-9-19-10-14(13)7-12;/h1-2,7,11H,3-6,8-10,16H2;1H
InChIKeyCLAWGFKWDSRVQE-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.95
Rot. Bonds2

About [4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride

[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride (PubChem CID 119423730) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
PubChem CID119423730
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
SMILESCl.NCC1CCN(C(=O)c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C15H20N2O2.ClH/c16-8-11-3-5-17(6-4-11)15(18)12-1-2-13-9-19-10-14(13)7-12;/h1-2,7,11H,3-6,8-10,16H2;1H
InChIKeyCLAWGFKWDSRVQE-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydro-2-benzofuran-5-yl-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 55229921
1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 62112159
[3-(chloromethyl)pyrrolidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 63744725
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride
CID 119624400
[4-(aminomethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 55218662
[4-(aminomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 28706771
1,3-dihydro-2-benzofuran-5-yl-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500781
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
6-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711454
[4-(aminomethyl)piperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 63195172
2-[4-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazin-1-yl]acetic acid
CID 63733269
1,3-dihydro-2-benzofuran-5-yl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397791

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride (CID 119423730) is [4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride is Cl.NCC1CCN(C(=O)c2ccc3c(c2)COC3)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride?
The InChIKey is CLAWGFKWDSRVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c16-8-11-3-5-17(6-4-11)15(18)12-1-2-13-9-19-10-14(13)7-12;/h1-2,7,11H,3-6,8-10,16H2;1H.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride?
[4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119423730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).