N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine

C16H28N2O — CID 81403845

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(C)N[C@H](C)c2ccco2)CC1
InChIInChI=1S/C16H28N2O/c1-4-9-18-10-7-15(8-11-18)13(2)17-14(3)16-6-5-12-19-16/h5-6,12-15,17H,4,7-11H2,1-3H3/t13?,14-/m1/s1
InChIKeyHOSHXJWXUGXBTP-ARLHGKGLSA-N
MW264.41 g/mol
LogP3.44
Rot. Bonds6

About N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine

N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine (PubChem CID 81403845) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
PubChem CID81403845
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
SMILESCCCN1CCC(C(C)N[C@H](C)c2ccco2)CC1
InChIInChI=1S/C16H28N2O/c1-4-9-18-10-7-15(8-11-18)13(2)17-14(3)16-6-5-12-19-16/h5-6,12-15,17H,4,7-11H2,1-3H3/t13?,14-/m1/s1
InChIKeyHOSHXJWXUGXBTP-ARLHGKGLSA-N
XLogP3.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81349354
1-(1-propylpiperidin-4-yl)-N-[(1S)-1-pyridin-4-ylethyl]ethanamine
CID 81405583
3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 43748462
1-(1-propylpiperidin-4-yl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43308271
2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 43722952
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 43692479
(1S)-1-(furan-2-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanol
CID 97053749
1-(furan-2-yl)-N-[1-(1-propylpiperidin-3-yl)ethyl]propan-2-amine
CID 43692967
1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403177
N-(1-cyclopropylethyl)-1-(furan-2-yl)propan-1-amine
CID 62632332
1-[2-[1-(furan-2-yl)ethylamino]ethyl]-N,N-dimethylpiperidin-4-amine
CID 62561360
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine (CID 81403845) is N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine is CCCN1CCC(C(C)N[C@H](C)c2ccco2)CC1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
The InChIKey is HOSHXJWXUGXBTP-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-9-18-10-7-15(8-11-18)13(2)17-14(3)16-6-5-12-19-16/h5-6,12-15,17H,4,7-11H2,1-3H3/t13?,14-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine?
N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine has a molecular weight of 264.41 g/mol, XLogP of 3.44, 6 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-(1-propylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 81403845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).