ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane

C16H33N3 — CID 155702490

IUPACethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
SMILESCC.CC(C)N1CC2(CN(CC3CCNCC3)C2)C1
InChIInChI=1S/C14H27N3.C2H6/c1-12(2)17-10-14(11-17)8-16(9-14)7-13-3-5-15-6-4-13;1-2/h12-13,15H,3-11H2,1-2H3;1-2H3
InChIKeyGNKPTOLGLFPBEI-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds3

About ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane

ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane (PubChem CID 155702490) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Nameethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
PubChem CID155702490
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Nameethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
SMILESCC.CC(C)N1CC2(CN(CC3CCNCC3)C2)C1
InChIInChI=1S/C14H27N3.C2H6/c1-12(2)17-10-14(11-17)8-16(9-14)7-13-3-5-15-6-4-13;1-2/h12-13,15H,3-11H2,1-2H3;1-2H3
InChIKeyGNKPTOLGLFPBEI-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane (CID 155702490) is ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane is CC.CC(C)N1CC2(CN(CC3CCNCC3)C2)C1.
What is the InChIKey of ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
The InChIKey is GNKPTOLGLFPBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.C2H6/c1-12(2)17-10-14(11-17)8-16(9-14)7-13-3-5-15-6-4-13;1-2/h12-13,15H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane?
ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane has a molecular weight of 267.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(piperidin-4-ylmethyl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 155702490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).