methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride

C13H19ClN2O2 — CID 91798655

IUPACmethyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CCN(c2ccccc2)CC1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-12(16)13(14)7-9-15(10-8-13)11-5-3-2-4-6-11;/h2-6H,7-10,14H2,1H3;1H
InChIKeyVSYYAZFVSBOLNQ-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.58
Rot. Bonds2

About methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride

methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride (PubChem CID 91798655) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
PubChem CID91798655
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Namemethyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CCN(c2ccccc2)CC1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-17-12(16)13(14)7-9-15(10-8-13)11-5-3-2-4-6-11;/h2-6H,7-10,14H2,1H3;1H
InChIKeyVSYYAZFVSBOLNQ-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate;hydrochloride
CID 91798629
methyl 4-amino-1-(4-methylphenyl)piperidine-4-carboxylate
CID 91798628
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
methyl 1-phenyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 106820599
methyl 1-phenyl-4-(prop-2-ynylamino)piperidine-4-carboxylate
CID 106820622
methyl 4-amino-1-methylpiperidine-4-carboxylate;hydrochloride
CID 21469156
4-methoxy-1-phenylpiperidine-4-carboxylic acid
CID 106821204
4-(methoxycarbonylamino)-1-phenylpiperidine-4-carboxylic acid
CID 167851958
methyl 4-[(4-bromophenyl)methylamino]-1-phenylpiperidine-4-carboxylate
CID 138707390
3-amino-3-phenylpropanoic acid;methyl 1-aminocyclopropane-1-carboxylate;dihydrochloride
CID 174903167
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
1-phenyl-4-propan-2-ylpiperidin-4-ol
CID 106820875

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride (CID 91798655) is methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride is COC(=O)C1(N)CCN(c2ccccc2)CC1.Cl.
What is the InChIKey of methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is VSYYAZFVSBOLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-17-12(16)13(14)7-9-15(10-8-13)11-5-3-2-4-6-11;/h2-6H,7-10,14H2,1H3;1H.
What are the key properties of methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride?
methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-phenylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 91798655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).