cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol

C19H42N2O2 — CID 156720236

IUPACcyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol
SMILESCC.CC.OC1CCC(NC2CCNCC2)CC1.OC1CCC1
InChIInChI=1S/C11H22N2O.C4H8O.2C2H6/c14-11-3-1-9(2-4-11)13-10-5-7-12-8-6-10;5-4-2-1-3-4;2*1-2/h9-14H,1-8H2;4-5H,1-3H2;2*1-2H3
InChIKeyYMUFKEVFBICJDF-UHFFFAOYSA-N
MW330.56 g/mol
LogP3.22
Rot. Bonds2

About cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol

cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol (PubChem CID 156720236) has the molecular formula C19H42N2O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Namecyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol
PubChem CID156720236
Molecular FormulaC19H42N2O2
Molecular Weight330.56 g/mol
Exact Mass330.32
IUPAC Namecyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol
SMILESCC.CC.OC1CCC(NC2CCNCC2)CC1.OC1CCC1
InChIInChI=1S/C11H22N2O.C4H8O.2C2H6/c14-11-3-1-9(2-4-11)13-10-5-7-12-8-6-10;5-4-2-1-3-4;2*1-2/h9-14H,1-8H2;4-5H,1-3H2;2*1-2H3
InChIKeyYMUFKEVFBICJDF-UHFFFAOYSA-N
XLogP3.22
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol?
The IUPAC name of cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol (CID 156720236) is cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol.
What is the SMILES notation for cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol?
The canonical SMILES for cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol is CC.CC.OC1CCC(NC2CCNCC2)CC1.OC1CCC1.
What is the InChIKey of cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol?
The InChIKey is YMUFKEVFBICJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C4H8O.2C2H6/c14-11-3-1-9(2-4-11)13-10-5-7-12-8-6-10;5-4-2-1-3-4;2*1-2/h9-14H,1-8H2;4-5H,1-3H2;2*1-2H3.
What are the key properties of cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol?
cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol has a molecular weight of 330.56 g/mol, XLogP of 3.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 156720236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).