[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone

C14H27N3O2 — CID 82023468

IUPAC[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
SMILESNCC(O)CN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H27N3O2/c15-10-13(18)11-16-6-8-17(9-7-16)14(19)12-4-2-1-3-5-12/h12-13,18H,1-11,15H2
InChIKeyFAAYVWUAXSSNTK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.03
Rot. Bonds4

About [4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone

[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone (PubChem CID 82023468) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
PubChem CID82023468
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
SMILESNCC(O)CN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H27N3O2/c15-10-13(18)11-16-6-8-17(9-7-16)14(19)12-4-2-1-3-5-12/h12-13,18H,1-11,15H2
InChIKeyFAAYVWUAXSSNTK-UHFFFAOYSA-N
XLogP0.03
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
CID 71783040
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone
CID 110908182
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cycloheptylmethanone
CID 63337316
[4-(1-aminopropan-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 63337916
(2S)-1-amino-3-(azonan-1-yl)propan-2-ol
CID 131048167
1-amino-3-(azonan-1-yl)propan-2-ol
CID 127001298
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
cyclopentyl-[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]methanone
CID 95934856
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone (CID 82023468) is [4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone is NCC(O)CN1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of [4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is FAAYVWUAXSSNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c15-10-13(18)11-16-6-8-17(9-7-16)14(19)12-4-2-1-3-5-12/h12-13,18H,1-11,15H2.
What are the key properties of [4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone?
[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 269.39 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 82023468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).