methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate

C15H21ClN2O2 — CID 83982500

IUPACmethyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)C(N)C1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-20-15(19)14(17)13-4-2-3-9-18(13)10-11-5-7-12(16)8-6-11/h5-8,13-14H,2-4,9-10,17H2,1H3
InChIKeyCYXDWOXDBWFCLK-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.19
Rot. Bonds4

About methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate

methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate (PubChem CID 83982500) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate
PubChem CID83982500
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Namemethyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate
SMILESCOC(=O)C(N)C1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2/c1-20-15(19)14(17)13-4-2-3-9-18(13)10-11-5-7-12(16)8-6-11/h5-8,13-14H,2-4,9-10,17H2,1H3
InChIKeyCYXDWOXDBWFCLK-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541
methyl (2R)-2-[(2R)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]-2-phenylacetate
CID 52942312
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
methyl 4-[[2-(1-hydroxypropyl)piperidin-1-yl]methyl]benzoate
CID 111332221
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 83982523
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate?
The IUPAC name of methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate (CID 83982500) is methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate is COC(=O)C(N)C1CCCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate?
The InChIKey is CYXDWOXDBWFCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-20-15(19)14(17)13-4-2-3-9-18(13)10-11-5-7-12(16)8-6-11/h5-8,13-14H,2-4,9-10,17H2,1H3.
What are the key properties of methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate?
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate has a molecular weight of 296.80 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate is sourced from PubChem (CID 83982500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).