ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol

C13H28N2O — CID 144576026

IUPACethane;2-(piperidin-4-ylamino)cyclohexan-1-ol
SMILESCC.OC1CCCCC1NC1CCNCC1
InChIInChI=1S/C11H22N2O.C2H6/c14-11-4-2-1-3-10(11)13-9-5-7-12-8-6-9;1-2/h9-14H,1-8H2;1-2H3
InChIKeyWYYJGYHPTLBKHV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.66
Rot. Bonds2

About ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol

ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol (PubChem CID 144576026) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nameethane;2-(piperidin-4-ylamino)cyclohexan-1-ol
PubChem CID144576026
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;2-(piperidin-4-ylamino)cyclohexan-1-ol
SMILESCC.OC1CCCCC1NC1CCNCC1
InChIInChI=1S/C11H22N2O.C2H6/c14-11-4-2-1-3-10(11)13-9-5-7-12-8-6-9;1-2/h9-14H,1-8H2;1-2H3
InChIKeyWYYJGYHPTLBKHV-UHFFFAOYSA-N
XLogP1.66
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol?
The IUPAC name of ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol (CID 144576026) is ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol.
What is the SMILES notation for ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol?
The canonical SMILES for ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol is CC.OC1CCCCC1NC1CCNCC1.
What is the InChIKey of ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol?
The InChIKey is WYYJGYHPTLBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c14-11-4-2-1-3-10(11)13-9-5-7-12-8-6-9;1-2/h9-14H,1-8H2;1-2H3.
What are the key properties of ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol?
ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(piperidin-4-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 144576026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).