4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid

C14H19ClN2O2 — CID 68843210

IUPAC4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid
SMILESCNCC1(c2ccc(Cl)cc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H19ClN2O2/c1-16-10-14(11-2-4-12(15)5-3-11)6-8-17(9-7-14)13(18)19/h2-5,16H,6-10H2,1H3,(H,18,19)
InChIKeyJLSRLZBIFDESDS-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.57
Rot. Bonds3

About 4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid

4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid (PubChem CID 68843210) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid
PubChem CID68843210
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid
SMILESCNCC1(c2ccc(Cl)cc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H19ClN2O2/c1-16-10-14(11-2-4-12(15)5-3-11)6-8-17(9-7-14)13(18)19/h2-5,16H,6-10H2,1H3,(H,18,19)
InChIKeyJLSRLZBIFDESDS-UHFFFAOYSA-N
XLogP2.57
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(methylaminomethyl)cyclopropyl]benzoic acid
CID 116989151
1-[5-(4-chlorophenyl)spiro[2.3]hexan-5-yl]-N-methylmethanamine
CID 65008340
1-[2-(4-chlorophenyl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 65007343
4-(bromomethyl)-4-(4-bromophenyl)piperidine-1-carboxylic acid
CID 91615874
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
4-(4-chlorophenyl)-4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
CID 23136847
1-[4-(3,4-dichlorophenyl)-1-methylpiperidin-4-yl]-N-methylmethanamine
CID 69131262
3-[[[1-(4-chlorophenyl)cyclopropyl]methylamino]methyl]benzoic acid
CID 122030975
[1-tert-butyl-4-(4-chlorophenyl)piperidin-4-yl]methanol
CID 121450308
[4-(4-chlorophenyl)-1-propan-2-ylpiperidin-4-yl]methanol
CID 134370434
ethyl (3R)-3-[[1-(4-chlorophenyl)cyclopropyl]methylamino]pyrrolidine-1-carboxylate
CID 125435443

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid (CID 68843210) is 4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid is CNCC1(c2ccc(Cl)cc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid?
The InChIKey is JLSRLZBIFDESDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-10-14(11-2-4-12(15)5-3-11)6-8-17(9-7-14)13(18)19/h2-5,16H,6-10H2,1H3,(H,18,19).
What are the key properties of 4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid?
4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid has a molecular weight of 282.77 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-(methylaminomethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68843210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).