2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol

C19H36N2O — CID 110017308

IUPAC2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCCC1CCCCC1NC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C19H36N2O/c1-2-15-7-3-4-8-17(15)20-16-11-13-21(14-12-16)18-9-5-6-10-19(18)22/h15-20,22H,2-14H2,1H3
InChIKeyLTPJXVVSQUJLMI-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol

2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 110017308) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID110017308
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCCC1CCCCC1NC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C19H36N2O/c1-2-15-7-3-4-8-17(15)20-16-11-13-21(14-12-16)18-9-5-6-10-19(18)22/h15-20,22H,2-14H2,1H3
InChIKeyLTPJXVVSQUJLMI-UHFFFAOYSA-N
XLogP3.31
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol (CID 110017308) is 2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol is CCC1CCCCC1NC1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is LTPJXVVSQUJLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-2-15-7-3-4-8-17(15)20-16-11-13-21(14-12-16)18-9-5-6-10-19(18)22/h15-20,22H,2-14H2,1H3.
What are the key properties of 2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 308.51 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-ethylcyclohexyl)amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 110017308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).