(3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride

C13H17Cl3N2O2 — CID 86722638

IUPAC(3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride
SMILESCl.NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C13H16Cl2N2O2.ClH/c14-10-5-9(6-11(15)7-10)8-19-13(18)17-3-1-12(16)2-4-17;/h5-7,12H,1-4,8,16H2;1H
InChIKeyIILDGXVYEFOLBT-UHFFFAOYSA-N
MW339.65 g/mol
LogP3.47
Rot. Bonds2

About (3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride

(3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride (PubChem CID 86722638) has the molecular formula C13H17Cl3N2O2 and a molecular weight of 339.65 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name(3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride
PubChem CID86722638
Molecular FormulaC13H17Cl3N2O2
Molecular Weight339.65 g/mol
Exact Mass338.04
IUPAC Name(3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride
SMILESCl.NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C13H16Cl2N2O2.ClH/c14-10-5-9(6-11(15)7-10)8-19-13(18)17-3-1-12(16)2-4-17;/h5-7,12H,1-4,8,16H2;1H
InChIKeyIILDGXVYEFOLBT-UHFFFAOYSA-N
XLogP3.47
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.65
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichlorophenyl)methyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate
CID 155931753
(3,5-dichlorophenyl)methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1-carboxylate
CID 86722673
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3,5-dichlorophenyl)ethanone;hydrochloride
CID 176516407
(3,5-dichlorophenyl)methyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate;hydrochloride
CID 155231497
(3,5-dichlorophenyl)methyl 3-(methylamino)azetidine-1-carboxylate
CID 155931886
(3,5-dichlorophenyl)methyl (3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 139450396
(3,5-dichlorophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 86722683
(3,5-dichlorophenyl)methyl 4-[4-(1H-imidazol-5-yl)phenoxy]piperidine-1-carboxylate
CID 167527990
4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid
CID 90219295
benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
CID 166595522
(3S)-3-amino-N-(3,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 107654257
(3,5-dichlorophenyl)methyl 4-[2-[4-(1H-imidazol-5-yl)piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 167527967

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride?
The IUPAC name of (3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride (CID 86722638) is (3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for (3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for (3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride is Cl.NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of (3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride?
The InChIKey is IILDGXVYEFOLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2.ClH/c14-10-5-9(6-11(15)7-10)8-19-13(18)17-3-1-12(16)2-4-17;/h5-7,12H,1-4,8,16H2;1H.
What are the key properties of (3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride?
(3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride has a molecular weight of 339.65 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 86722638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).