[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride

C13H21ClN2O2 — CID 119517982

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
SMILESCc1occc1C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9(14)11-3-6-15(7-4-11)13(16)12-5-8-17-10(12)2;/h5,8-9,11H,3-4,6-7,14H2,1-2H3;1H
InChIKeyLDJVTLRGTPNBTC-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.21
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride

[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride (PubChem CID 119517982) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
PubChem CID119517982
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride
SMILESCc1occc1C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-9(14)11-3-6-15(7-4-11)13(16)12-5-8-17-10(12)2;/h5,8-9,11H,3-4,6-7,14H2,1-2H3;1H
InChIKeyLDJVTLRGTPNBTC-UHFFFAOYSA-N
XLogP2.21
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(3-bromofuran-2-yl)methanone
CID 119519300
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
[4-(1-aminoethyl)piperidin-1-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 107672038
[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2-methylphenyl)methanone;hydrochloride
CID 119518483
[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119517591
[4-(1-aminoethyl)piperidin-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114345026
[4-(1-aminoethyl)piperidin-1-yl]-(2-iodo-5-methylphenyl)methanone
CID 119518219
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
[4-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119519531
[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119518888

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride (CID 119517982) is [4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride is Cc1occc1C(=O)N1CCC(C(C)N)CC1.Cl.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride?
The InChIKey is LDJVTLRGTPNBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-9(14)11-3-6-15(7-4-11)13(16)12-5-8-17-10(12)2;/h5,8-9,11H,3-4,6-7,14H2,1-2H3;1H.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride?
[4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119517982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).