1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride

C11H19ClN2O — CID 86253291

IUPAC1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(Cc2ccco2)CC1.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-12-10-4-6-13(7-5-10)9-11-3-2-8-14-11;/h2-3,8,10,12H,4-7,9H2,1H3;1H
InChIKeyYMFOAXMCWQGARY-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.89
Rot. Bonds3

About 1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride

1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride (PubChem CID 86253291) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
PubChem CID86253291
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
SMILESCNC1CCN(Cc2ccco2)CC1.Cl
InChIInChI=1S/C11H18N2O.ClH/c1-12-10-4-6-13(7-5-10)9-11-3-2-8-14-11;/h2-3,8,10,12H,4-7,9H2,1H3;1H
InChIKeyYMFOAXMCWQGARY-UHFFFAOYSA-N
XLogP1.89
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 77093957
1-(furan-2-ylmethyl)-N-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]piperidin-4-amine
CID 125445625
4-cyclohexyloxy-1-(furan-2-ylmethyl)piperidine
CID 75439086
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
tert-butyl N-[(3S)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]carbamate
CID 139674621
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride (CID 86253291) is 1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride is CNC1CCN(Cc2ccco2)CC1.Cl.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride?
The InChIKey is YMFOAXMCWQGARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c1-12-10-4-6-13(7-5-10)9-11-3-2-8-14-11;/h2-3,8,10,12H,4-7,9H2,1H3;1H.
What are the key properties of 1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride?
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 86253291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).