3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid

C15H27NO4 — CID 65213724

IUPAC3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C15H27NO4/c17-14(18)6-11-20-13-4-9-16(10-5-13)12-15(19)7-2-1-3-8-15/h13,19H,1-12H2,(H,17,18)
InChIKeyPGMLPSUFWSTLDF-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.64
Rot. Bonds6

About 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid

3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid (PubChem CID 65213724) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid
PubChem CID65213724
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C15H27NO4/c17-14(18)6-11-20-13-4-9-16(10-5-13)12-15(19)7-2-1-3-8-15/h13,19H,1-12H2,(H,17,18)
InChIKeyPGMLPSUFWSTLDF-UHFFFAOYSA-N
XLogP1.64
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid
CID 65214064
1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
CID 65213026
3-[1-(2-aminoethyl)piperidin-4-yl]oxypropanoic acid
CID 63904578
3-cyclopentyloxypropanoic acid
CID 24706641
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]acetic acid
CID 65213418
4-(2-carboxyethoxy)piperidine-1-carboxylic acid
CID 154257989
3-[1-(2-hydroxy-2-methylcyclopentyl)piperidin-4-yl]oxypropanoic acid
CID 112745946
3-[1-(2-bromoprop-2-enyl)piperidin-4-yl]oxypropanoic acid
CID 63904193
3-(1-pent-3-ynylpiperidin-4-yl)oxypropanoic acid
CID 104808769
3-(1-but-2-ynylpiperidin-4-yl)oxypropanoic acid
CID 63903229
1-[(4-fluoropiperidin-1-yl)methyl]cyclopentan-1-ol
CID 126846312
1-[(1-hydroxycyclopentyl)methyl]piperidin-4-ol
CID 65213146

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid (CID 65213724) is 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid?
The InChIKey is PGMLPSUFWSTLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c17-14(18)6-11-20-13-4-9-16(10-5-13)12-15(19)7-2-1-3-8-15/h13,19H,1-12H2,(H,17,18).
What are the key properties of 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid?
3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid has a molecular weight of 285.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 65213724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).