benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate

C20H24N2O3 — CID 134822051

IUPACbenzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate
SMILESNCc1ccc(OC2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O3/c21-14-16-6-8-18(9-7-16)25-19-10-12-22(13-11-19)20(23)24-15-17-4-2-1-3-5-17/h1-9,19H,10-15,21H2
InChIKeyIZFGSBSJNORJGZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.33
Rot. Bonds5

About benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate

benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate (PubChem CID 134822051) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate
PubChem CID134822051
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namebenzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate
SMILESNCc1ccc(OC2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O3/c21-14-16-6-8-18(9-7-16)25-19-10-12-22(13-11-19)20(23)24-15-17-4-2-1-3-5-17/h1-9,19H,10-15,21H2
InChIKeyIZFGSBSJNORJGZ-UHFFFAOYSA-N
XLogP3.33
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
[4-(aminomethyl)phenyl]-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119290330
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
benzyl 4-(diaminomethoxy)piperidine-1-carboxylate
CID 86651244
benzyl 4-[[4-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate;hydrochloride
CID 165436550
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(difluoromethoxy)piperidine-1-carboxylate
CID 67527865
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-ethynylpiperidine-1-carboxylate
CID 126797046
4-[4-(phenylmethoxycarbonylamino)phenoxy]piperidine-1-carboxylic acid
CID 18536514

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate (CID 134822051) is benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate is NCc1ccc(OC2CCN(C(=O)OCc3ccccc3)CC2)cc1.
What is the InChIKey of benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate?
The InChIKey is IZFGSBSJNORJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c21-14-16-6-8-18(9-7-16)25-19-10-12-22(13-11-19)20(23)24-15-17-4-2-1-3-5-17/h1-9,19H,10-15,21H2.
What are the key properties of benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate?
benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 134822051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).