methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate

C15H21ClN2O2 — CID 83982541

IUPACmethyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
SMILESCOC(=O)C(N)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-20-15(19)14(17)12-3-2-8-18(10-12)9-11-4-6-13(16)7-5-11/h4-7,12,14H,2-3,8-10,17H2,1H3
InChIKeyZPDSHWSFBSPGBE-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate

methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate (PubChem CID 83982541) 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-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
PubChem CID83982541
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Namemethyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
SMILESCOC(=O)C(N)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H21ClN2O2/c1-20-15(19)14(17)12-3-2-8-18(10-12)9-11-4-6-13(16)7-5-11/h4-7,12,14H,2-3,8-10,17H2,1H3
InChIKeyZPDSHWSFBSPGBE-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]butan-1-amine
CID 83982545
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
[1-[[1-[(4-chlorophenyl)methyl]piperidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]phosphonic acid
CID 170164675
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetate
CID 83982500
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
(3S)-1-[(4-bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine;oxalic acid
CID 54608918
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
2-amino-2-[1-[(3,4-dimethylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982741
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
N-[1-(4-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 133159220

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate?
The IUPAC name of methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate (CID 83982541) is methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate is COC(=O)C(N)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate?
The InChIKey is ZPDSHWSFBSPGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-20-15(19)14(17)12-3-2-8-18(10-12)9-11-4-6-13(16)7-5-11/h4-7,12,14H,2-3,8-10,17H2,1H3.
What are the key properties of methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate?
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate has a molecular weight of 296.80 g/mol, XLogP of 2.05, 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-3-yl]acetate is sourced from PubChem (CID 83982541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).