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

C17H25ClN2O2 — CID 119050461

IUPACmethyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate
SMILESCCC(NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)OC
InChIInChI=1S/C17H25ClN2O2/c1-3-16(17(21)22-2)19-15-8-10-20(11-9-15)12-13-4-6-14(18)7-5-13/h4-7,15-16,19H,3,8-12H2,1-2H3
InChIKeyYIDIIULAJJPEDO-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.85
Rot. Bonds6

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

methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate (PubChem CID 119050461) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate
PubChem CID119050461
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Namemethyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate
SMILESCCC(NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)OC
InChIInChI=1S/C17H25ClN2O2/c1-3-16(17(21)22-2)19-15-8-10-20(11-9-15)12-13-4-6-14(18)7-5-13/h4-7,15-16,19H,3,8-12H2,1-2H3
InChIKeyYIDIIULAJJPEDO-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate with MolForge

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Related Compounds

(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
methyl 2-[4-(pyrrolidin-1-ylmethyl)anilino]butanoate
CID 115352542
methyl (2S)-2-[[1-[(1S)-1-phenylethyl]piperidin-4-yl]amino]butanoate
CID 124625205
methyl 2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]acetate
CID 83982541
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
2-amino-2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetic acid
CID 83983228
3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-difluoroethyl)-1-methylurea
CID 56825884
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]butanoic acid
CID 83983234
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylcyclopropane-1-carboxamide
CID 18121065

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate?
The IUPAC name of methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate (CID 119050461) is methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate.
What is the SMILES notation for methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate?
The canonical SMILES for methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate is CCC(NC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)OC.
What is the InChIKey of methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate?
The InChIKey is YIDIIULAJJPEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-3-16(17(21)22-2)19-15-8-10-20(11-9-15)12-13-4-6-14(18)7-5-13/h4-7,15-16,19H,3,8-12H2,1-2H3.
What are the key properties of methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate?
methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate has a molecular weight of 324.85 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]butanoate is sourced from PubChem (CID 119050461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).