propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate

C18H27NO3 — CID 111461861

IUPACpropyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
SMILESCCCOC(=O)C(C)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO3/c1-3-13-22-18(21)14(2)19-11-9-16(10-12-19)17(20)15-7-5-4-6-8-15/h4-8,14,16-17,20H,3,9-13H2,1-2H3
InChIKeyCMTYNLRUXJITNJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.77
Rot. Bonds6

About propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate

propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate (PubChem CID 111461861) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate.

Molecular Properties

Compound Namepropyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
PubChem CID111461861
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Namepropyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
SMILESCCCOC(=O)C(C)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO3/c1-3-13-22-18(21)14(2)19-11-9-16(10-12-19)17(20)15-7-5-4-6-8-15/h4-8,14,16-17,20H,3,9-13H2,1-2H3
InChIKeyCMTYNLRUXJITNJ-UHFFFAOYSA-N
XLogP2.77
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 110898270
ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
CID 70366449
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
propyl (2R)-2-phenylpropanoate
CID 14926551
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
CID 62070395
2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110921876
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate?
The IUPAC name of propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate (CID 111461861) is propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate.
What is the SMILES notation for propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate?
The canonical SMILES for propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate is CCCOC(=O)C(C)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate?
The InChIKey is CMTYNLRUXJITNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-3-13-22-18(21)14(2)19-11-9-16(10-12-19)17(20)15-7-5-4-6-8-15/h4-8,14,16-17,20H,3,9-13H2,1-2H3.
What are the key properties of propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate?
propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate has a molecular weight of 305.42 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate is sourced from PubChem (CID 111461861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).