[4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate

C15H22N2O2 — CID 79337661

IUPAC[4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2ccc(CCN)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-12-7-10-17(11-8-12)15(18)19-14-4-2-13(3-5-14)6-9-16/h2-5,12H,6-11,16H2,1H3
InChIKeyBZBMKQMPNQLACS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.42
Rot. Bonds3

About [4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate

[4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate (PubChem CID 79337661) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate
PubChem CID79337661
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2ccc(CCN)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-12-7-10-17(11-8-12)15(18)19-14-4-2-13(3-5-14)6-9-16/h2-5,12H,6-11,16H2,1H3
InChIKeyBZBMKQMPNQLACS-UHFFFAOYSA-N
XLogP2.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl] 4-methylpiperidine-1-carboxylate
CID 139930508
(4-methoxycarbonylphenyl) 4-methylpiperidine-1-carboxylate
CID 70372833
(4-ethoxyphenyl) 4-aminopiperidine-1-carboxylate
CID 116819285
N'-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919473
1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047
[4-(2-aminoethyl)phenyl] hydrogen carbonate;hydrochloride
CID 171616803
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-[4-(aminomethyl)phenoxy]-1-(4-methylazepan-1-yl)ethanone
CID 63622570
1-(4-methylpiperidin-1-yl)-4-(4-propylphenoxy)butan-1-one
CID 19191324
3-[4-[4-[(2-cyclohexylacetyl)amino]piperidine-1-carbonyl]oxyphenyl]propanoic acid
CID 142001449
(4-ethylphenyl) 3-aminoazetidine-1-carboxylate
CID 83822345
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate?
The IUPAC name of [4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate (CID 79337661) is [4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for [4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate?
The canonical SMILES for [4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)Oc2ccc(CCN)cc2)CC1.
What is the InChIKey of [4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate?
The InChIKey is BZBMKQMPNQLACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-7-10-17(11-8-12)15(18)19-14-4-2-13(3-5-14)6-9-16/h2-5,12H,6-11,16H2,1H3.
What are the key properties of [4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate?
[4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)phenyl] 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 79337661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).