2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide

C16H31N3O2 — CID 64928848

IUPAC2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NCC2CCCCC2O)CC1
InChIInChI=1S/C16H31N3O2/c1-18(2)16(21)12-19-9-7-14(8-10-19)17-11-13-5-3-4-6-15(13)20/h13-15,17,20H,3-12H2,1-2H3
InChIKeyOLOYCPIBNHLAJR-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.68
Rot. Bonds5

About 2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 64928848) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID64928848
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC(NCC2CCCCC2O)CC1
InChIInChI=1S/C16H31N3O2/c1-18(2)16(21)12-19-9-7-14(8-10-19)17-11-13-5-3-4-6-15(13)20/h13-15,17,20H,3-12H2,1-2H3
InChIKeyOLOYCPIBNHLAJR-UHFFFAOYSA-N
XLogP0.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43767045
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
N,N-dimethyl-2-[4-(3-methylbut-2-enylamino)piperidin-1-yl]acetamide
CID 103522748
N,N-dimethyl-2-[4-[(3-methylcyclopentyl)methylamino]piperidin-1-yl]acetamide
CID 107411593
2-[4-(2-aminoethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 60887213
5-[[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]amino]pentanamide
CID 106233558
2-[4-[(2-hydroxy-2-methylpropyl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 65103485
2-[4-(3-hydroxypropylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43770571
2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 113303615
2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
N,N-dimethyl-2-[4-(octylamino)piperidin-1-yl]acetamide
CID 115566789
1-[4-[(2-hydroxycyclopentyl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111469282

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide (CID 64928848) is 2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC(NCC2CCCCC2O)CC1.
What is the InChIKey of 2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is OLOYCPIBNHLAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-18(2)16(21)12-19-9-7-14(8-10-19)17-11-13-5-3-4-6-15(13)20/h13-15,17,20H,3-12H2,1-2H3.
What are the key properties of 2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 297.44 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxycyclohexyl)methylamino]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 64928848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).