benzyl 4-(diaminomethoxy)piperidine-1-carboxylate

C14H21N3O3 — CID 86651244

IUPACbenzyl 4-(diaminomethoxy)piperidine-1-carboxylate
SMILESNC(N)OC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H21N3O3/c15-13(16)20-12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15-16H2
InChIKeyWOTKFFDDUKRLFN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.01
Rot. Bonds4

About benzyl 4-(diaminomethoxy)piperidine-1-carboxylate

benzyl 4-(diaminomethoxy)piperidine-1-carboxylate (PubChem CID 86651244) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is benzyl 4-(diaminomethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(diaminomethoxy)piperidine-1-carboxylate
PubChem CID86651244
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namebenzyl 4-(diaminomethoxy)piperidine-1-carboxylate
SMILESNC(N)OC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H21N3O3/c15-13(16)20-12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15-16H2
InChIKeyWOTKFFDDUKRLFN-UHFFFAOYSA-N
XLogP1.01
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-(difluoromethoxy)piperidine-1-carboxylate
CID 67527865
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl 4-(1-aminopropyl)piperidine-1-carboxylate
CID 154815286
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate
CID 69040986
benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate
CID 134822051
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(diaminomethoxy)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(diaminomethoxy)piperidine-1-carboxylate (CID 86651244) is benzyl 4-(diaminomethoxy)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(diaminomethoxy)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(diaminomethoxy)piperidine-1-carboxylate is NC(N)OC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(diaminomethoxy)piperidine-1-carboxylate?
The InChIKey is WOTKFFDDUKRLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-13(16)20-12-6-8-17(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-10,15-16H2.
What are the key properties of benzyl 4-(diaminomethoxy)piperidine-1-carboxylate?
benzyl 4-(diaminomethoxy)piperidine-1-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(diaminomethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 86651244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).