ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

C15H31N3 — CID 143122057

IUPACethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC.CCN1CCC(N2CC3CC2CN3C)CC1
InChIInChI=1S/C13H25N3.C2H6/c1-3-15-6-4-11(5-7-15)16-10-12-8-13(16)9-14(12)2;1-2/h11-13H,3-10H2,1-2H3;1-2H3
InChIKeyNTCMPYGNWLNJGB-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.89
Rot. Bonds2

About ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 143122057) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID143122057
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Nameethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCC.CCN1CCC(N2CC3CC2CN3C)CC1
InChIInChI=1S/C13H25N3.C2H6/c1-3-15-6-4-11(5-7-15)16-10-12-8-13(16)9-14(12)2;1-2/h11-13H,3-10H2,1-2H3;1-2H3
InChIKeyNTCMPYGNWLNJGB-UHFFFAOYSA-N
XLogP1.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazine, 1-(1-ethyl-4-piperidinyl)-4-methyl-(9CI)
CID 784238
(1S,4S)-2-(2-fluoroethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 170049197
1-Methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 758244
Piperazine, 1-ethyl-4-(1-methyl-4-piperidinyl)-(9CI)
CID 784447
Piperazine, 1-ethyl-4-(1-ethyl-4-piperidinyl)-(9CI)
CID 2846296
2-Butyl-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 17972145
1-(1-Methylpyrrolidin-3-yl)piperidine
CID 18722890
2-Methyl-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 18731886
2,5-Di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 20754508
2,5-Bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane
CID 20800744
2,5-Ditert-butyl-2,5-diazabicyclo[2.2.1]heptane
CID 21028231
7-(1-Methylpiperidin-4-yl)-7-azabicyclo[2.2.1]heptane
CID 23395569

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 143122057) is ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is CC.CCN1CCC(N2CC3CC2CN3C)CC1.
What is the InChIKey of ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is NTCMPYGNWLNJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.C2H6/c1-3-15-6-4-11(5-7-15)16-10-12-8-13(16)9-14(12)2;1-2/h11-13H,3-10H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 253.43 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1-ethylpiperidin-4-yl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 143122057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).