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

C15H27NO3 — CID 103159436

IUPAC2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC(O)CC2CCCC2)CC1
InChIInChI=1S/C15H27NO3/c17-14(9-12-3-1-2-4-12)11-16-7-5-13(6-8-16)10-15(18)19/h12-14,17H,1-11H2,(H,18,19)
InChIKeyARDLHDRTKSVXPK-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.11
Rot. Bonds6

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

2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid (PubChem CID 103159436) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid
PubChem CID103159436
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(CC(O)CC2CCCC2)CC1
InChIInChI=1S/C15H27NO3/c17-14(9-12-3-1-2-4-12)11-16-7-5-13(6-8-16)10-15(18)19/h12-14,17H,1-11H2,(H,18,19)
InChIKeyARDLHDRTKSVXPK-UHFFFAOYSA-N
XLogP2.11
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopentyl-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 103159267
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]oxyacetic acid
CID 103159381
1-cyclopentyl-3-[4-(ethylaminomethyl)piperidin-1-yl]propan-2-ol
CID 103160901
2-[1-(cyclopentylmethyl)piperidin-4-yl]acetic acid
CID 79608698
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
(3R)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160997
(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160998
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-3-yl]acetamide
CID 119035061
1-cyclopentyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 103160187
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
CID 106991498
N-[1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-yl]acetamide
CID 103160184

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid (CID 103159436) is 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(CC(O)CC2CCCC2)CC1.
What is the InChIKey of 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid?
The InChIKey is ARDLHDRTKSVXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-14(9-12-3-1-2-4-12)11-16-7-5-13(6-8-16)10-15(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]acetic acid?
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 103159436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).