methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate

C14H26N2O2 — CID 83999544

IUPACmethyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCCC(NC2CCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-14(17)11-16-9-5-8-13(10-16)15-12-6-3-2-4-7-12/h12-13,15H,2-11H2,1H3
InChIKeyYGEDRZXDGKDZKV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds4

About methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate

methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate (PubChem CID 83999544) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
PubChem CID83999544
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCCC(NC2CCCCC2)C1
InChIInChI=1S/C14H26N2O2/c1-18-14(17)11-16-9-5-8-13(10-16)15-12-6-3-2-4-7-12/h12-13,15H,2-11H2,1H3
InChIKeyYGEDRZXDGKDZKV-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999559
methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998161
2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 83991919
N-cyclopentyl-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616375
5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 83991941
tert-butyl 2-[3-(methylamino)piperidin-1-yl]acetate
CID 55138302
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
CID 83999600
ethyl 2-[3-(ethylamino)piperidin-1-yl]acetate
CID 83990671
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998176
methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83991939

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate (CID 83999544) is methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate is COC(=O)CN1CCCC(NC2CCCCC2)C1.
What is the InChIKey of methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate?
The InChIKey is YGEDRZXDGKDZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-14(17)11-16-9-5-8-13(10-16)15-12-6-3-2-4-7-12/h12-13,15H,2-11H2,1H3.
What are the key properties of methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate?
methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate has a molecular weight of 254.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 83999544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).