2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid

C15H27NO4 — CID 103159381

IUPAC2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC(O)CC2CCCC2)CC1
InChIInChI=1S/C15H27NO4/c17-13(9-12-3-1-2-4-12)10-16-7-5-14(6-8-16)20-11-15(18)19/h12-14,17H,1-11H2,(H,18,19)
InChIKeyOTOVIMFHIAXWKL-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.49
Rot. Bonds7

About 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid

2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid (PubChem CID 103159381) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
PubChem CID103159381
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(CC(O)CC2CCCC2)CC1
InChIInChI=1S/C15H27NO4/c17-13(9-12-3-1-2-4-12)10-16-7-5-14(6-8-16)20-11-15(18)19/h12-14,17H,1-11H2,(H,18,19)
InChIKeyOTOVIMFHIAXWKL-UHFFFAOYSA-N
XLogP1.49
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid
CID 103159436
1-(3-cyclopentyl-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 103159267
2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
CID 63932800
2-[1-(2,2-difluoroethyl)piperidin-4-yl]oxyacetic acid
CID 63904700
1,3-bis[4-(cyclopentylmethoxy)piperidin-1-yl]propan-2-ol
CID 166234408
(3R)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160997
(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160998
1-cyclopentyl-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103160053
N-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetamide
CID 103160182
1-cyclopentyl-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 103160901
2-cycloheptyloxyacetic acid
CID 61069533
2-cyclododecyloxyacetic acid
CID 19371812

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid (CID 103159381) is 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(CC(O)CC2CCCC2)CC1.
What is the InChIKey of 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is OTOVIMFHIAXWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c17-13(9-12-3-1-2-4-12)10-16-7-5-14(6-8-16)20-11-15(18)19/h12-14,17H,1-11H2,(H,18,19).
What are the key properties of 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 285.38 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 103159381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).