methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate

C17H25NO3 — CID 83983363

IUPACmethyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
SMILESCOC(=O)CCC1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H25NO3/c1-20-16-6-3-15(4-7-16)13-18-11-9-14(10-12-18)5-8-17(19)21-2/h3-4,6-7,14H,5,8-13H2,1-2H3
InChIKeyKFQRWCNXWWJKPT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.86
Rot. Bonds6

About methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate

methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate (PubChem CID 83983363) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
PubChem CID83983363
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
SMILESCOC(=O)CCC1CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C17H25NO3/c1-20-16-6-3-15(4-7-16)13-18-11-9-14(10-12-18)5-8-17(19)21-2/h3-4,6-7,14H,5,8-13H2,1-2H3
InChIKeyKFQRWCNXWWJKPT-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
methyl 5-[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]pentanoate
CID 166613684
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
4-[[3-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 166620619
(2S)-2-hydroxy-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489219
(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
CID 56995818
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate?
The IUPAC name of methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate (CID 83983363) is methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate.
What is the SMILES notation for methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate?
The canonical SMILES for methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate is COC(=O)CCC1CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate?
The InChIKey is KFQRWCNXWWJKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-16-6-3-15(4-7-16)13-18-11-9-14(10-12-18)5-8-17(19)21-2/h3-4,6-7,14H,5,8-13H2,1-2H3.
What are the key properties of methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate?
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate has a molecular weight of 291.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate is sourced from PubChem (CID 83983363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).