ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate

C18H27NO3 — CID 110922539

IUPACethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
SMILESCCOC(=O)CCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO3/c1-2-22-17(20)9-6-12-19-13-10-16(11-14-19)18(21)15-7-4-3-5-8-15/h3-5,7-8,16,18,21H,2,6,9-14H2,1H3
InChIKeyMYQNLKFSHULTHJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.78
Rot. Bonds7

About ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate

ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate (PubChem CID 110922539) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
PubChem CID110922539
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nameethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
SMILESCCOC(=O)CCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H27NO3/c1-2-22-17(20)9-6-12-19-13-10-16(11-14-19)18(21)15-7-4-3-5-8-15/h3-5,7-8,16,18,21H,2,6,9-14H2,1H3
InChIKeyMYQNLKFSHULTHJ-UHFFFAOYSA-N
XLogP2.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(4-benzhydrylpiperidin-1-yl)propanoate;methane
CID 158654311
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
ethyl 4-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]butanoate
CID 139601780
ethyl 4-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoate
CID 54498618
ethyl 4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butanoate
CID 54551430
ethyl 4-(4-hydroxypiperidin-1-yl)butanoate
CID 66524329
ethyl 4-(4-chloropiperidin-1-yl)butanoate
CID 71533979
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
CID 144757762

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate?
The IUPAC name of ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate (CID 110922539) is ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate.
What is the SMILES notation for ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate?
The canonical SMILES for ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate is CCOC(=O)CCCN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate?
The InChIKey is MYQNLKFSHULTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-2-22-17(20)9-6-12-19-13-10-16(11-14-19)18(21)15-7-4-3-5-8-15/h3-5,7-8,16,18,21H,2,6,9-14H2,1H3.
What are the key properties of ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate?
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate has a molecular weight of 305.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate is sourced from PubChem (CID 110922539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).