2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol

C12H16Cl2N2O — CID 29009288

IUPAC2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
SMILESNC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C12H16Cl2N2O/c13-9-5-8(12(17)11(14)6-9)7-16-3-1-10(15)2-4-16/h5-6,10,17H,1-4,7,15H2
InChIKeyIXNZUGCNMKHYGH-UHFFFAOYSA-N
MW275.18 g/mol
LogP2.62
Rot. Bonds2

About 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol

2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol (PubChem CID 29009288) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol.

Molecular Properties

Compound Name2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
PubChem CID29009288
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC Name2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
SMILESNC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C12H16Cl2N2O/c13-9-5-8(12(17)11(14)6-9)7-16-3-1-10(15)2-4-16/h5-6,10,17H,1-4,7,15H2
InChIKeyIXNZUGCNMKHYGH-UHFFFAOYSA-N
XLogP2.62
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 82986743
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80551519
2-(azocan-1-ylmethyl)-4,6-dichlorophenol
CID 82977984
2,4-dichloro-6-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263503
2,4-dichloro-6-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenol
CID 82961970
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065574
2,4-dichloro-6-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82977282
2,4-dichloro-6-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol
CID 50968839
2,4-dichloro-6-[[(2S)-2-[(2S)-1-[(3,5-dichloro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 101475533
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-2-methoxyacetic acid
CID 167819970
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 65069785
1-[(3,5-dichloro-2-hydroxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65072097

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol?
The IUPAC name of 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol (CID 29009288) is 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol.
What is the SMILES notation for 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol?
The canonical SMILES for 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol is NC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1.
What is the InChIKey of 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol?
The InChIKey is IXNZUGCNMKHYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c13-9-5-8(12(17)11(14)6-9)7-16-3-1-10(15)2-4-16/h5-6,10,17H,1-4,7,15H2.
What are the key properties of 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol?
2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol has a molecular weight of 275.18 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol is sourced from PubChem (CID 29009288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).