benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride

C20H29ClN2O2 — CID 175782213

IUPACbenzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)N3)CC1
InChIInChI=1S/C20H28N2O2.ClH/c23-20(24-14-15-4-2-1-3-5-15)16-8-10-22(11-9-16)19-12-17-6-7-18(13-19)21-17;/h1-5,16-19,21H,6-14H2;1H/t17-,18+,19?;
InChIKeyMZOQOZZOKHIYIH-FMJRHHGGSA-N
MW364.92 g/mol
LogP3.15
Rot. Bonds4

About benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride

benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride (PubChem CID 175782213) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride
PubChem CID175782213
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC Namebenzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)N3)CC1
InChIInChI=1S/C20H28N2O2.ClH/c23-20(24-14-15-4-2-1-3-5-15)16-8-10-22(11-9-16)19-12-17-6-7-18(13-19)21-17;/h1-5,16-19,21H,6-14H2;1H/t17-,18+,19?;
InChIKeyMZOQOZZOKHIYIH-FMJRHHGGSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride with MolForge

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Related Compounds

dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 1-cyanopiperidine-4-carboxylate
CID 156541326
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
benzyl 1-(3,3-diphenylpropyl)piperidine-4-carboxylate
CID 25223025
benzyl 1-diphenoxyphosphanylpiperidine-4-carboxylate
CID 163210413
benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
CID 66773233
benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 146597094
dibenzyl (3S,4S)-1-cyclopentylpyrrolidine-3,4-dicarboxylate
CID 164643868
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
benzyl (3S)-1-acetylpyrrolidine-3-carboxylate
CID 157025963
benzyl 1-(3-phenylbutyl)piperidine-4-carboxylate
CID 142003970
benzyl spiro[2.5]octane-6-carboxylate
CID 66817825

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride?
The IUPAC name of benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride (CID 175782213) is benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)C1CCN(C2C[C@H]3CC[C@@H](C2)N3)CC1.
What is the InChIKey of benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride?
The InChIKey is MZOQOZZOKHIYIH-FMJRHHGGSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c23-20(24-14-15-4-2-1-3-5-15)16-8-10-22(11-9-16)19-12-17-6-7-18(13-19)21-17;/h1-5,16-19,21H,6-14H2;1H/t17-,18+,19?;.
What are the key properties of benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride?
benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 175782213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).