[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate

C17H25NO3 — CID 175326485

IUPAC[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C17H25NO3/c1-17(2,3)16(19)21-15-6-4-14(5-7-15)20-12-13-8-10-18-11-9-13/h4-7,13,18H,8-12H2,1-3H3
InChIKeyFMODIVVAGBCNMR-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.02
Rot. Bonds4

About [4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate

[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate (PubChem CID 175326485) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate
PubChem CID175326485
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C17H25NO3/c1-17(2,3)16(19)21-15-6-4-14(5-7-15)20-12-13-8-10-18-11-9-13/h4-7,13,18H,8-12H2,1-3H3
InChIKeyFMODIVVAGBCNMR-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[(3S)-pyrrolidin-3-yl]methoxy]phenyl] 2,2-dimethylpropanoate
CID 174567843
4-[(4-tert-butylphenoxy)methyl]piperidine;hydrochloride
CID 46735634
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone
CID 170861083
tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
CID 175274802
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
4-(piperidin-4-ylmethoxy)benzaldehyde
CID 154636749
2-[4-(piperidin-4-ylmethoxy)phenyl]ethanol
CID 113242079
2-methyl-4-(piperidin-4-ylmethoxy)benzamide
CID 81276896
N-[4-(piperidin-4-ylmethoxy)phenyl]methanesulfonamide
CID 19992428
N-[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321304

Frequently Asked Questions

What is the IUPAC name of [4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate (CID 175326485) is [4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1ccc(OCC2CCNCC2)cc1.
What is the InChIKey of [4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate?
The InChIKey is FMODIVVAGBCNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,3)16(19)21-15-6-4-14(5-7-15)20-12-13-8-10-18-11-9-13/h4-7,13,18H,8-12H2,1-3H3.
What are the key properties of [4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate?
[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate has a molecular weight of 291.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175326485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).