1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine

C17H29N3O — CID 124842615

IUPAC1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine
SMILESCCN1CCC[C@@H](CN2CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C17H29N3O/c1-2-18-7-3-5-16(13-18)14-19-8-10-20(11-9-19)15-17-6-4-12-21-17/h4,6,12,16H,2-3,5,7-11,13-15H2,1H3/t16-/m1/s1
InChIKeyCMGZPKOMAMNTJK-MRXNPFEDSA-N
MW291.44 g/mol
LogP2.13
Rot. Bonds5

About 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine

1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine (PubChem CID 124842615) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine
PubChem CID124842615
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine
SMILESCCN1CCC[C@@H](CN2CCN(Cc3ccco3)CC2)C1
InChIInChI=1S/C17H29N3O/c1-2-18-7-3-5-16(13-18)14-19-8-10-20(11-9-19)15-17-6-4-12-21-17/h4,6,12,16H,2-3,5,7-11,13-15H2,1H3/t16-/m1/s1
InChIKeyCMGZPKOMAMNTJK-MRXNPFEDSA-N
XLogP2.13
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-3-(2-methylpropyl)piperidine
CID 169242230
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
1-(furan-2-ylmethyl)piperidine;methanamine
CID 162741090
1-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-propylurea
CID 56741397
1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-(furan-2-ylmethyl)guanidine
CID 110937506
1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937505
1-[(1-ethylpiperidin-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77087702
1-[(1-ethylpiperidin-3-yl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111355449
N-[[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 95200289
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
1-(furan-2-ylmethyl)-4-methylpiperazine;methanamine
CID 162740974
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine?
The IUPAC name of 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine (CID 124842615) is 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine?
The canonical SMILES for 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine is CCN1CCC[C@@H](CN2CCN(Cc3ccco3)CC2)C1.
What is the InChIKey of 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine?
The InChIKey is CMGZPKOMAMNTJK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-18-7-3-5-16(13-18)14-19-8-10-20(11-9-19)15-17-6-4-12-21-17/h4,6,12,16H,2-3,5,7-11,13-15H2,1H3/t16-/m1/s1.
What are the key properties of 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine?
1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine has a molecular weight of 291.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine is sourced from PubChem (CID 124842615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).