1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane

C14H30N2 — CID 176984836

IUPAC1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
SMILESCC.CC(C)C1CCN(CC2CNC2)CC1
InChIInChI=1S/C12H24N2.C2H6/c1-10(2)12-3-5-14(6-4-12)9-11-7-13-8-11;1-2/h10-13H,3-9H2,1-2H3;1-2H3
InChIKeyAOTRIMAJJQQFFV-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.60
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane

1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane (PubChem CID 176984836) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
PubChem CID176984836
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane
SMILESCC.CC(C)C1CCN(CC2CNC2)CC1
InChIInChI=1S/C12H24N2.C2H6/c1-10(2)12-3-5-14(6-4-12)9-11-7-13-8-11;1-2/h10-13H,3-9H2,1-2H3;1-2H3
InChIKeyAOTRIMAJJQQFFV-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 176984971
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-(azetidin-3-ylmethyl)-4-ethylpiperazine;ethane
CID 156885601
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
ethane;4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine
CID 166490060
4-propan-2-yl-1-[2-[(3R)-pyrrolidin-3-yl]ethyl]piperidine
CID 166490061
1-(azetidin-3-ylmethyl)piperidin-4-ol;cyclohexane
CID 157039213
ethane;4-ethyl-1-(pyrrolidin-3-ylmethyl)piperidine
CID 166478727
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177135021
(3R)-1-(azetidin-3-ylmethyl)-3-fluoropyrrolidine
CID 166507837

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane (CID 176984836) is 1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane is CC.CC(C)C1CCN(CC2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane?
The InChIKey is AOTRIMAJJQQFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.C2H6/c1-10(2)12-3-5-14(6-4-12)9-11-7-13-8-11;1-2/h10-13H,3-9H2,1-2H3;1-2H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane?
1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane has a molecular weight of 226.41 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-propan-2-ylpiperidine;ethane is sourced from PubChem (CID 176984836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).