4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane

C17H35NO — CID 142206472

IUPAC4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane
SMILESCC.CC(O)CCC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C15H29NO.C2H6/c1-13(17)7-8-15(9-11-16-12-10-15)14-5-3-2-4-6-14;1-2/h13-14,16-17H,2-12H2,1H3;1-2H3
InChIKeyNBZBLMBDNSIYAH-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.12
Rot. Bonds4

About 4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane

4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane (PubChem CID 142206472) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane.

Molecular Properties

Compound Name4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane
PubChem CID142206472
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane
SMILESCC.CC(O)CCC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C15H29NO.C2H6/c1-13(17)7-8-15(9-11-16-12-10-15)14-5-3-2-4-6-14;1-2/h13-14,16-17H,2-12H2,1H3;1-2H3
InChIKeyNBZBLMBDNSIYAH-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane?
The IUPAC name of 4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane (CID 142206472) is 4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane.
What is the SMILES notation for 4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane?
The canonical SMILES for 4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane is CC.CC(O)CCC1(C2CCCCC2)CCNCC1.
What is the InChIKey of 4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane?
The InChIKey is NBZBLMBDNSIYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO.C2H6/c1-13(17)7-8-15(9-11-16-12-10-15)14-5-3-2-4-6-14;1-2/h13-14,16-17H,2-12H2,1H3;1-2H3.
What are the key properties of 4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane?
4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane has a molecular weight of 269.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylpiperidin-4-yl)butan-2-ol;ethane is sourced from PubChem (CID 142206472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).