1-[(3-ethylpiperidin-3-yl)methyl]azocane

C15H30N2 — CID 55166633

IUPAC1-[(3-ethylpiperidin-3-yl)methyl]azocane
SMILESCCC1(CN2CCCCCCC2)CCCNC1
InChIInChI=1S/C15H30N2/c1-2-15(9-8-10-16-13-15)14-17-11-6-4-3-5-7-12-17/h16H,2-14H2,1H3
InChIKeyBXNAODHLALBMGS-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds3

About 1-[(3-ethylpiperidin-3-yl)methyl]azocane

1-[(3-ethylpiperidin-3-yl)methyl]azocane (PubChem CID 55166633) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[(3-ethylpiperidin-3-yl)methyl]azocane.

Molecular Properties

Compound Name1-[(3-ethylpiperidin-3-yl)methyl]azocane
PubChem CID55166633
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[(3-ethylpiperidin-3-yl)methyl]azocane
SMILESCCC1(CN2CCCCCCC2)CCCNC1
InChIInChI=1S/C15H30N2/c1-2-15(9-8-10-16-13-15)14-17-11-6-4-3-5-7-12-17/h16H,2-14H2,1H3
InChIKeyBXNAODHLALBMGS-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 145968769
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CID 20713879
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CID 55265305
CID 55265305
CID 2868122
CID 2868122
CID 55164523
CID 55164523
CID 55164716
CID 55164716
CID 63132922
CID 63132922
CID 65536346
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CID 116315501
CID 116315501
CID 12247580
CID 12247580
CID 21607734
CID 21607734

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylpiperidin-3-yl)methyl]azocane?
The IUPAC name of 1-[(3-ethylpiperidin-3-yl)methyl]azocane (CID 55166633) is 1-[(3-ethylpiperidin-3-yl)methyl]azocane.
What is the SMILES notation for 1-[(3-ethylpiperidin-3-yl)methyl]azocane?
The canonical SMILES for 1-[(3-ethylpiperidin-3-yl)methyl]azocane is CCC1(CN2CCCCCCC2)CCCNC1.
What is the InChIKey of 1-[(3-ethylpiperidin-3-yl)methyl]azocane?
The InChIKey is BXNAODHLALBMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-15(9-8-10-16-13-15)14-17-11-6-4-3-5-7-12-17/h16H,2-14H2,1H3.
What are the key properties of 1-[(3-ethylpiperidin-3-yl)methyl]azocane?
1-[(3-ethylpiperidin-3-yl)methyl]azocane has a molecular weight of 238.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylpiperidin-3-yl)methyl]azocane is sourced from PubChem (CID 55166633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).