11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane

C18H35N3 — CID 64949138

IUPAC11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane
SMILESCCN1CCC(CN2CCCNC3(CCCCC3)C2)CC1
InChIInChI=1S/C18H35N3/c1-2-20-13-7-17(8-14-20)15-21-12-6-11-19-18(16-21)9-4-3-5-10-18/h17,19H,2-16H2,1H3
InChIKeyJLAFHSQFKNAYAX-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.72
Rot. Bonds3

About 11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane

11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane (PubChem CID 64949138) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane
PubChem CID64949138
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane
SMILESCCN1CCC(CN2CCCNC3(CCCCC3)C2)CC1
InChIInChI=1S/C18H35N3/c1-2-20-13-7-17(8-14-20)15-21-12-6-11-19-18(16-21)9-4-3-5-10-18/h17,19H,2-16H2,1H3
InChIKeyJLAFHSQFKNAYAX-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-ethyl-1,8-diazaspiro[5.5]undecane
CID 83618601
11-propyl-7,11-diazaspiro[5.6]dodecane
CID 64857663
10-[(5,5-dimethyloxolan-2-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 116524582
11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 80612307
11-pentyl-7,11-diazaspiro[5.6]dodecane
CID 64859042
11-(2-ethylbutyl)-7,11-diazaspiro[5.6]dodecane
CID 82924129
10-(2-cyclopentylethyl)-6,10-diazaspiro[4.6]undecane
CID 64942433
4-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79351240
11-nonyl-7,11-diazaspiro[5.6]dodecane
CID 64857646
11-hexyl-7,11-diazaspiro[5.6]dodecane
CID 64859041
11-octyl-7,11-diazaspiro[5.6]dodecane
CID 64859395
10-(2-ethylbutyl)-6,10-diazaspiro[4.6]undecane
CID 82924522

Frequently Asked Questions

What is the IUPAC name of 11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane (CID 64949138) is 11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane is CCN1CCC(CN2CCCNC3(CCCCC3)C2)CC1.
What is the InChIKey of 11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane?
The InChIKey is JLAFHSQFKNAYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-20-13-7-17(8-14-20)15-21-12-6-11-19-18(16-21)9-4-3-5-10-18/h17,19H,2-16H2,1H3.
What are the key properties of 11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane?
11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane has a molecular weight of 293.50 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(1-ethylpiperidin-4-yl)methyl]-7,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 64949138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).