3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane

C13H25N3 — CID 171564868

IUPAC3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCCN1CC2CC(C1)N2CC1CCNCC1
InChIInChI=1S/C13H25N3/c1-2-15-9-12-7-13(10-15)16(12)8-11-3-5-14-6-4-11/h11-14H,2-10H2,1H3
InChIKeyMTJKBIYJNLAOEP-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.76
Rot. Bonds3

About 3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane

3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 171564868) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
PubChem CID171564868
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
SMILESCCN1CC2CC(C1)N2CC1CCNCC1
InChIInChI=1S/C13H25N3/c1-2-15-9-12-7-13(10-15)16(12)8-11-3-5-14-6-4-11/h11-14H,2-10H2,1H3
InChIKeyMTJKBIYJNLAOEP-UHFFFAOYSA-N
XLogP0.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 170263293
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1-ethyl-4-[(4-piperidin-4-ylpiperidin-1-yl)methyl]piperidine
CID 167091278
(1R,5S)-6-ethoxy-3-(piperidin-4-ylmethyl)-3-azabicyclo[3.1.0]hexane
CID 176695256
1-ethyl-4-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 86262794
2-tert-butyl-5-(piperidin-4-ylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 176841736
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
4-[[3-(2-methylbutan-2-yl)azetidin-1-yl]methyl]piperidine
CID 166490165
8-ethyl-3-(piperazin-1-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 170586030
4-[(3,4-dimethoxypyrrolidin-1-yl)methyl]piperidine
CID 103533927
1,2,6-trimethyl-4-(piperidin-4-ylmethyl)piperazine
CID 114538087
2,6-dimethyl-4-(piperidin-4-ylmethyl)morpholine
CID 16767739

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane (CID 171564868) is 3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane is CCN1CC2CC(C1)N2CC1CCNCC1.
What is the InChIKey of 3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is MTJKBIYJNLAOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-2-15-9-12-7-13(10-15)16(12)8-11-3-5-14-6-4-11/h11-14H,2-10H2,1H3.
What are the key properties of 3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane?
3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 223.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(piperidin-4-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 171564868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).