1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine

C17H29N3O — CID 43181238

IUPAC1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
SMILESCCN1CCC(NCC(c2ccco2)N2CCCC2)CC1
InChIInChI=1S/C17H29N3O/c1-2-19-11-7-15(8-12-19)18-14-16(17-6-5-13-21-17)20-9-3-4-10-20/h5-6,13,15-16,18H,2-4,7-12,14H2,1H3
InChIKeyUXVHGKQEFXFRDT-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.49
Rot. Bonds6

About 1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine

1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine (PubChem CID 43181238) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
PubChem CID43181238
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
SMILESCCN1CCC(NCC(c2ccco2)N2CCCC2)CC1
InChIInChI=1S/C17H29N3O/c1-2-19-11-7-15(8-12-19)18-14-16(17-6-5-13-21-17)20-9-3-4-10-20/h5-6,13,15-16,18H,2-4,7-12,14H2,1H3
InChIKeyUXVHGKQEFXFRDT-UHFFFAOYSA-N
XLogP2.49
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine
CID 84587836
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylazepan-4-amine
CID 65070997
4-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclohexane-1,4-diamine
CID 79724195
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methylpyrrolidin-3-amine
CID 62975040
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723807
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-methoxycyclobutan-1-amine
CID 104870773
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylcyclohexan-1-amine
CID 43181240
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111780000
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
(1S)-1-(furan-2-yl)-2-[(1-propylpiperidin-4-yl)amino]ethanol
CID 97053749
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine (CID 43181238) is 1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine is CCN1CCC(NCC(c2ccco2)N2CCCC2)CC1.
What is the InChIKey of 1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine?
The InChIKey is UXVHGKQEFXFRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-19-11-7-15(8-12-19)18-14-16(17-6-5-13-21-17)20-9-3-4-10-20/h5-6,13,15-16,18H,2-4,7-12,14H2,1H3.
What are the key properties of 1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine?
1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine has a molecular weight of 291.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]piperidin-4-amine is sourced from PubChem (CID 43181238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).