benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride

C15H25Cl2N3O2 — CID 68753675

IUPACbenzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride
SMILESCl.Cl.NCCNC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H23N3O2.2ClH/c16-8-9-17-14-7-4-10-18(11-14)15(19)20-12-13-5-2-1-3-6-13;;/h1-3,5-6,14,17H,4,7-12,16H2;2*1H
InChIKeyVHPJSQIJZBIHOA-UHFFFAOYSA-N
MW350.29 g/mol
LogP2.18
Rot. Bonds5

About benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride

benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride (PubChem CID 68753675) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride.

Molecular Properties

Compound Namebenzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride
PubChem CID68753675
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC Namebenzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride
SMILESCl.Cl.NCCNC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H23N3O2.2ClH/c16-8-9-17-14-7-4-10-18(11-14)15(19)20-12-13-5-2-1-3-6-13;;/h1-3,5-6,14,17H,4,7-12,16H2;2*1H
InChIKeyVHPJSQIJZBIHOA-UHFFFAOYSA-N
XLogP2.18
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]piperidine-1-carboxylate
CID 68754722
benzyl (3S)-3-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
CID 97169068
benzyl (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylate
CID 168979000
2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66564221
benzyl (3R)-3-(cyclobutylamino)pyrrolidine-1-carboxylate
CID 175852571
tert-butyl (3R)-3-[(1-phenylmethoxycarbonylpiperidin-4-yl)methylamino]piperidine-1-carboxylate
CID 170459926
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
CID 19077314
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
1-methyl-5-[[[(3S)-1-phenylmethoxycarbonylpiperidin-3-yl]amino]methyl]pyrazole-4-carboxylic acid
CID 138622001
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride?
The IUPAC name of benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride (CID 68753675) is benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride.
What is the SMILES notation for benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride?
The canonical SMILES for benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride is Cl.Cl.NCCNC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride?
The InChIKey is VHPJSQIJZBIHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.2ClH/c16-8-9-17-14-7-4-10-18(11-14)15(19)20-12-13-5-2-1-3-6-13;;/h1-3,5-6,14,17H,4,7-12,16H2;2*1H.
What are the key properties of benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride?
benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride is sourced from PubChem (CID 68753675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).