ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane

C17H38N2O — CID 168901872

IUPACethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
SMILESCC.CCC.CN1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C12H24N2O.C3H8.C2H6/c1-13-6-2-11(3-7-13)10-14-8-4-12(15)5-9-14;1-3-2;1-2/h11-12,15H,2-10H2,1H3;3H2,1-2H3;1-2H3
InChIKeyDLPNFPSETBOLJS-UHFFFAOYSA-N
MW286.50 g/mol
LogP3.23
Rot. Bonds2

About ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane

ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane (PubChem CID 168901872) has the molecular formula C17H38N2O and a molecular weight of 286.50 g/mol. Its IUPAC name is ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane.

Molecular Properties

Compound Nameethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
PubChem CID168901872
Molecular FormulaC17H38N2O
Molecular Weight286.50 g/mol
Exact Mass286.30
IUPAC Nameethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
SMILESCC.CCC.CN1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C12H24N2O.C3H8.C2H6/c1-13-6-2-11(3-7-13)10-14-8-4-12(15)5-9-14;1-3-2;1-2/h11-12,15H,2-10H2,1H3;3H2,1-2H3;1-2H3
InChIKeyDLPNFPSETBOLJS-UHFFFAOYSA-N
XLogP3.23
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(Cycloheptylmethyl)-4-piperidyl]methyl]piperidin-4-ol
CID 56672435
Bispidinol
CID 194673
1-(1'-Isobutyl-1,4'-bipiperidin-4-yl)ethanol
CID 53193309
1-[(Piperidin-4-yl)methyl]piperidin-4-ol
CID 22047942
1-[5-[4-(2-Fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol
CID 137425990
1-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 157039324
1-[(4-Fluoro-1-methylpiperidin-4-yl)methyl]piperidin-4-ol
CID 166834210
4,4-Difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol
CID 177223610
3,7-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 12360832
1-[(1-Butylpiperidin-4-yl)methyl]-3-fluoropiperidin-4-ol
CID 165116509
4-Piperidinol, 1-[6-(4-hydroxy-3-methyl-1-piperidinyl)-1,1,6-trimethyl-2,4-heptadiynyl]-3-methyl-
CID 5302188
9-Deuterio-3,7-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 12360833

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane?
The IUPAC name of ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane (CID 168901872) is ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane.
What is the SMILES notation for ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane?
The canonical SMILES for ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane is CC.CCC.CN1CCC(CN2CCC(O)CC2)CC1.
What is the InChIKey of ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane?
The InChIKey is DLPNFPSETBOLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C3H8.C2H6/c1-13-6-2-11(3-7-13)10-14-8-4-12(15)5-9-14;1-3-2;1-2/h11-12,15H,2-10H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane?
ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane has a molecular weight of 286.50 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane is sourced from PubChem (CID 168901872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).