tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate

C19H29ClN2O3 — CID 69309645

IUPACtert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COCC(N)c2ccccc2Cl)CC1
InChIInChI=1S/C19H29ClN2O3/c1-19(2,3)25-18(23)22-10-8-14(9-11-22)12-24-13-17(21)15-6-4-5-7-16(15)20/h4-7,14,17H,8-13,21H2,1-3H3
InChIKeyWZBOHAXLSYJXOS-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.00
Rot. Bonds5

About tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate

tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate (PubChem CID 69309645) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate
PubChem CID69309645
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Nametert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(COCC(N)c2ccccc2Cl)CC1
InChIInChI=1S/C19H29ClN2O3/c1-19(2,3)25-18(23)22-10-8-14(9-11-22)12-24-13-17(21)15-6-4-5-7-16(15)20/h4-7,14,17H,8-13,21H2,1-3H3
InChIKeyWZBOHAXLSYJXOS-UHFFFAOYSA-N
XLogP4.00
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(2-chlorophenoxy)methyl]piperidine-1-carboxylate
CID 154662433
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052
tert-butyl 3-[(2-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902815
tert-butyl 4-[[3-(chloromethyl)phenyl]methoxymethyl]piperidine-1-carboxylate
CID 126758413
tert-butyl 4-[[2-(2-chlorophenyl)-4-fluorophenyl]carbamoyloxymethyl]piperidine-1-carboxylate
CID 138710678
tert-butyl 4-(benzenesulfonyloxymethyl)piperidine-1-carboxylate
CID 22243788
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxymethanesulfinic acid
CID 154944363
tert-butyl 4-[[(2S)-2-[(3-chloro-1H-indole-6-carbonyl)amino]-2-phenylethoxy]methyl]piperidine-1-carboxylate
CID 69310756
tert-butyl 4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 31367642
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148
tert-butyl 4-[(2S)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926592
tert-butyl 4-[(2R)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926593

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate (CID 69309645) is tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(COCC(N)c2ccccc2Cl)CC1.
What is the InChIKey of tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate?
The InChIKey is WZBOHAXLSYJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3/c1-19(2,3)25-18(23)22-10-8-14(9-11-22)12-24-13-17(21)15-6-4-5-7-16(15)20/h4-7,14,17H,8-13,21H2,1-3H3.
What are the key properties of tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate has a molecular weight of 368.91 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[2-amino-2-(2-chlorophenyl)ethoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 69309645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).