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

C15H27NO3 — CID 65214064

IUPAC3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C15H27NO3/c17-14(18)5-4-13-6-10-16(11-7-13)12-15(19)8-2-1-3-9-15/h13,19H,1-12H2,(H,17,18)
InChIKeyPUEQUBUERXHEHC-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.26
Rot. Bonds5

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

3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid (PubChem CID 65214064) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid
PubChem CID65214064
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(CC2(O)CCCCC2)CC1
InChIInChI=1S/C15H27NO3/c17-14(18)5-4-13-6-10-16(11-7-13)12-15(19)8-2-1-3-9-15/h13,19H,1-12H2,(H,17,18)
InChIKeyPUEQUBUERXHEHC-UHFFFAOYSA-N
XLogP2.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 65213724
1-[(1-hydroxycyclopentyl)methyl]piperidine-4-carboxylic acid
CID 65213026
2-[4-[(1-hydroxycyclohexyl)methyl]piperazin-1-yl]acetic acid
CID 65213418
1-[(1-hydroxycyclopentyl)methyl]piperidin-4-ol
CID 65213146
1-[(4-fluoropiperidin-1-yl)methyl]cyclopentan-1-ol
CID 126846312
1-[[4-(fluoromethyl)piperidin-1-yl]methyl]cyclobutan-1-ol
CID 126793782
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
1-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol
CID 65213325
1-[(1-hydroxycyclohexyl)methyl]piperidine-3-carboxylic acid
CID 65213320
3-[1-(2-cyclohexylacetyl)piperidin-4-yl]propanoic acid
CID 62217126
N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47395832
4-hydroxy-4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 106498407

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid (CID 65214064) is 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(CC2(O)CCCCC2)CC1.
What is the InChIKey of 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid?
The InChIKey is PUEQUBUERXHEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c17-14(18)5-4-13-6-10-16(11-7-13)12-15(19)8-2-1-3-9-15/h13,19H,1-12H2,(H,17,18).
What are the key properties of 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid?
3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid has a molecular weight of 269.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 65214064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).