2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C15H28N2 — CID 113335807

IUPAC2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCCC1(CN2CC3CCCC3C2)CCNCC1
InChIInChI=1S/C15H28N2/c1-2-15(6-8-16-9-7-15)12-17-10-13-4-3-5-14(13)11-17/h13-14,16H,2-12H2,1H3
InChIKeyBXLFKMYWKQCJOF-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.50
Rot. Bonds3

About 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 113335807) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID113335807
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCCC1(CN2CC3CCCC3C2)CCNCC1
InChIInChI=1S/C15H28N2/c1-2-15(6-8-16-9-7-15)12-17-10-13-4-3-5-14(13)11-17/h13-14,16H,2-12H2,1H3
InChIKeyBXLFKMYWKQCJOF-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole with MolForge

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Related Compounds

1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine
CID 63129487
2-[(4-ethylpiperidin-4-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79934958
1-[(4-ethylpiperidin-4-yl)methyl]-4-methoxypiperidine
CID 55177605
1-[(4-ethylpiperidin-4-yl)methyl]-3-propoxypiperidine
CID 63129663
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 113336169
4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazinane 1-oxide
CID 63129878
(2R,6S)-4-[(3-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylmorpholine
CID 104959082
4-[(4-ethylpiperidin-4-yl)methyl]-1,4-thiazepane
CID 63129326
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanol
CID 113336189
[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclohexyl]methanethiol
CID 115562971
4,4-diethylpiperidine;hydrochloride
CID 75419509
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-pyrrolidin-1-ylpyrrolidine
CID 55224749

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 113335807) is 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CCC1(CN2CC3CCCC3C2)CCNCC1.
What is the InChIKey of 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is BXLFKMYWKQCJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-15(6-8-16-9-7-15)12-17-10-13-4-3-5-14(13)11-17/h13-14,16H,2-12H2,1H3.
What are the key properties of 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 236.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperidin-4-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 113335807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).