N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

C16H26N2O — CID 81403840

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(N[C@H](C)c2ccco2)CC1
InChIInChI=1S/C16H26N2O/c1-13(2)6-9-18-10-7-15(8-11-18)17-14(3)16-5-4-12-19-16/h4-6,12,14-15,17H,7-11H2,1-3H3/t14-/m1/s1
InChIKeyMHDFIZVQPJFKJT-CQSZACIVSA-N
MW262.40 g/mol
LogP3.36
Rot. Bonds5

About N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine

N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 81403840) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID81403840
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(N[C@H](C)c2ccco2)CC1
InChIInChI=1S/C16H26N2O/c1-13(2)6-9-18-10-7-15(8-11-18)17-14(3)16-5-4-12-19-16/h4-6,12,14-15,17H,7-11H2,1-3H3/t14-/m1/s1
InChIKeyMHDFIZVQPJFKJT-CQSZACIVSA-N
XLogP3.36
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
1-(3-methylbut-2-enyl)-N-[(1R)-1-(3-methylphenyl)ethyl]piperidin-4-amine
CID 81369214
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81381712
4-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261936
1-(3-methylbut-2-enyl)-N-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62841679
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258
1-[4-[1-(furan-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747621
(2S)-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-2-phenylethanol
CID 103784052
N-[(1R)-1-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 81403874
1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine
CID 54954604
N-[(1R)-1-(furan-2-yl)ethyl]oxetan-3-amine
CID 81403066

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 81403840) is N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(N[C@H](C)c2ccco2)CC1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is MHDFIZVQPJFKJT-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)6-9-18-10-7-15(8-11-18)17-14(3)16-5-4-12-19-16/h4-6,12,14-15,17H,7-11H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 81403840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).