N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine

C15H26N2O — CID 107163253

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NCC1(C)CCN(C)CC1)c1ccco1
InChIInChI=1S/C15H26N2O/c1-4-13(14-6-5-11-18-14)16-12-15(2)7-9-17(3)10-8-15/h5-6,11,13,16H,4,7-10,12H2,1-3H3
InChIKeyWPMBCRJNYZSZFY-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.05
Rot. Bonds5

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine

N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine (PubChem CID 107163253) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine
PubChem CID107163253
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NCC1(C)CCN(C)CC1)c1ccco1
InChIInChI=1S/C15H26N2O/c1-4-13(14-6-5-11-18-14)16-12-15(2)7-9-17(3)10-8-15/h5-6,11,13,16H,4,7-10,12H2,1-3H3
InChIKeyWPMBCRJNYZSZFY-UHFFFAOYSA-N
XLogP3.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(furan-2-yl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115344
4-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]propyl]phenol
CID 107163202
1-[[1-(furan-2-yl)propylamino]methyl]cyclohexan-1-ol
CID 65107011
1-(furan-2-yl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104759685
N'-[1-(furan-2-yl)propyl]ethane-1,2-diamine
CID 62633441
1-(furan-2-yl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propan-1-amine
CID 62633818
N-[1-(furan-2-yl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 62634141
N-[1-(furan-2-yl)propyl]-3-methyl-1,1-dioxothiolan-3-amine
CID 55097821
1-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 80682343
1-(furan-2-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62632133
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-2-phenylacetic acid
CID 107164520
N-(cyclohexylmethyl)-1-(furan-2-yl)propan-1-amine
CID 62633963

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine (CID 107163253) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine is CCC(NCC1(C)CCN(C)CC1)c1ccco1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine?
The InChIKey is WPMBCRJNYZSZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13(14-6-5-11-18-14)16-12-15(2)7-9-17(3)10-8-15/h5-6,11,13,16H,4,7-10,12H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 107163253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).