2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid

C15H26N2O4 — CID 79519458

IUPAC2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid
SMILESNCC1CCC(C(=O)N2CCC(OCC(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O4/c16-9-11-1-3-12(4-2-11)15(20)17-7-5-13(6-8-17)21-10-14(18)19/h11-13H,1-10,16H2,(H,18,19)
InChIKeyHTBBMDQKYSHTQE-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.84
Rot. Bonds5

About 2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid

2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid (PubChem CID 79519458) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid
PubChem CID79519458
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid
SMILESNCC1CCC(C(=O)N2CCC(OCC(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O4/c16-9-11-1-3-12(4-2-11)15(20)17-7-5-13(6-8-17)21-10-14(18)19/h11-13H,1-10,16H2,(H,18,19)
InChIKeyHTBBMDQKYSHTQE-UHFFFAOYSA-N
XLogP0.84
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 55115030
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
2-[1-(2,2-difluoroacetyl)piperidin-4-yl]oxyacetic acid
CID 103513307
2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700
2-[1-(tert-butylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876431
2-[1-(oxane-2-carbonyl)piperidin-4-yl]oxyacetic acid
CID 55250892
[4-(2-bromoethoxy)piperidin-1-yl]-cyclobutylmethanone
CID 82701553
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid (CID 79519458) is 2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid is NCC1CCC(C(=O)N2CCC(OCC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is HTBBMDQKYSHTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c16-9-11-1-3-12(4-2-11)15(20)17-7-5-13(6-8-17)21-10-14(18)19/h11-13H,1-10,16H2,(H,18,19).
What are the key properties of 2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid?
2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 298.38 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(aminomethyl)cyclohexanecarbonyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 79519458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).