[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate

C17H26N2O2 — CID 174695662

IUPAC[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(c2ccc(CN)cc2)CCNCC1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)15(20)21-17(8-10-19-11-9-17)14-6-4-13(12-18)5-7-14/h4-7,19H,8-12,18H2,1-3H3
InChIKeyFXLKMDLNAXKBDB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.31
Rot. Bonds3

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

[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate (PubChem CID 174695662) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
PubChem CID174695662
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(c2ccc(CN)cc2)CCNCC1
InChIInChI=1S/C17H26N2O2/c1-16(2,3)15(20)21-17(8-10-19-11-9-17)14-6-4-13(12-18)5-7-14/h4-7,19H,8-12,18H2,1-3H3
InChIKeyFXLKMDLNAXKBDB-UHFFFAOYSA-N
XLogP2.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174809929
[3-(4-chlorophenyl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 174662539
(4-phenylpiperidin-4-yl) 2-bromo-2-methylpropanoate
CID 167316143
[4-(aminomethyl)piperidin-4-yl] 2,2-dimethylpropanoate
CID 174820654
[4-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate
CID 174558419
[3-(4-methoxyphenyl)azepan-3-yl] 2,2-dimethylpropanoate
CID 174818718
[4-(3-fluorophenyl)piperidin-4-yl] 2-iodo-2-methylpropanoate
CID 162509335
4-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) butanedioate
CID 167316030
(4-phenylpiperidin-4-yl) 2-(4-methylsulfonylphenyl)acetate
CID 167316272
(4-phenylpiperidin-4-yl) 4-propylbenzoate
CID 167316093
[4-[4-(difluoromethyl)phenyl]piperidin-4-yl]methyl 2,2-dimethylpropanoate
CID 174799265
(4-phenylpiperidin-4-yl) 2-chloropropanoate
CID 167314944

Frequently Asked Questions

What is the IUPAC name of [4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate (CID 174695662) is [4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1(c2ccc(CN)cc2)CCNCC1.
What is the InChIKey of [4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The InChIKey is FXLKMDLNAXKBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2,3)15(20)21-17(8-10-19-11-9-17)14-6-4-13(12-18)5-7-14/h4-7,19H,8-12,18H2,1-3H3.
What are the key properties of [4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate?
[4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate has a molecular weight of 290.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(aminomethyl)phenyl]piperidin-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174695662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).