ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine

C18H38N2O — CID 172605054

IUPACethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine
SMILESCC.CC(C)COCN1CCC(CC2CCNCC2)CC1
InChIInChI=1S/C16H32N2O.C2H6/c1-14(2)12-19-13-18-9-5-16(6-10-18)11-15-3-7-17-8-4-15;1-2/h14-17H,3-13H2,1-2H3;1-2H3
InChIKeyUIRFCKBQLKPTMB-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.74
Rot. Bonds6

About ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine

ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine (PubChem CID 172605054) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine.

Molecular Properties

Compound Nameethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine
PubChem CID172605054
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Nameethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine
SMILESCC.CC(C)COCN1CCC(CC2CCNCC2)CC1
InChIInChI=1S/C16H32N2O.C2H6/c1-14(2)12-19-13-18-9-5-16(6-10-18)11-15-3-7-17-8-4-15;1-2/h14-17H,3-13H2,1-2H3;1-2H3
InChIKeyUIRFCKBQLKPTMB-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine?
The IUPAC name of ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine (CID 172605054) is ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine.
What is the SMILES notation for ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine?
The canonical SMILES for ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine is CC.CC(C)COCN1CCC(CC2CCNCC2)CC1.
What is the InChIKey of ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine?
The InChIKey is UIRFCKBQLKPTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O.C2H6/c1-14(2)12-19-13-18-9-5-16(6-10-18)11-15-3-7-17-8-4-15;1-2/h14-17H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine?
ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine has a molecular weight of 298.51 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylpropoxymethyl)-4-(piperidin-4-ylmethyl)piperidine is sourced from PubChem (CID 172605054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).