1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile

C15H25N3O2 — CID 95607164

IUPAC1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESC[C@@H](O)CN1CCN(C(=O)C2(C#N)CCCCC2)CC1
InChIInChI=1S/C15H25N3O2/c1-13(19)11-17-7-9-18(10-8-17)14(20)15(12-16)5-3-2-4-6-15/h13,19H,2-11H2,1H3/t13-/m1/s1
InChIKeyHTFLDYBQFHCUJY-CYBMUJFWSA-N
MW279.38 g/mol
LogP0.99
Rot. Bonds3

About 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile

1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile (PubChem CID 95607164) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
PubChem CID95607164
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile
SMILESC[C@@H](O)CN1CCN(C(=O)C2(C#N)CCCCC2)CC1
InChIInChI=1S/C15H25N3O2/c1-13(19)11-17-7-9-18(10-8-17)14(20)15(12-16)5-3-2-4-6-15/h13,19H,2-11H2,1H3/t13-/m1/s1
InChIKeyHTFLDYBQFHCUJY-CYBMUJFWSA-N
XLogP0.99
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile (CID 95607164) is 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile is C[C@@H](O)CN1CCN(C(=O)C2(C#N)CCCCC2)CC1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
The InChIKey is HTFLDYBQFHCUJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13(19)11-17-7-9-18(10-8-17)14(20)15(12-16)5-3-2-4-6-15/h13,19H,2-11H2,1H3/t13-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile?
1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile has a molecular weight of 279.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 95607164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).