2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol

C15H23ClN2O2 — CID 104666523

IUPAC2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CN2CCC(CCN)CC2)c1O
InChIInChI=1S/C15H23ClN2O2/c1-20-14-9-13(16)8-12(15(14)19)10-18-6-3-11(2-5-17)4-7-18/h8-9,11,19H,2-7,10,17H2,1H3
InChIKeyXPMZVCWFABPADY-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.62
Rot. Bonds5

About 2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol

2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol (PubChem CID 104666523) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol.

Molecular Properties

Compound Name2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol
PubChem CID104666523
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol
SMILESCOc1cc(Cl)cc(CN2CCC(CCN)CC2)c1O
InChIInChI=1S/C15H23ClN2O2/c1-20-14-9-13(16)8-12(15(14)19)10-18-6-3-11(2-5-17)4-7-18/h8-9,11,19H,2-7,10,17H2,1H3
InChIKeyXPMZVCWFABPADY-UHFFFAOYSA-N
XLogP2.62
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenol
CID 104640025
4-chloro-2-methoxy-6-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 104666562
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 29009288
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80551519
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-4-methylphenol
CID 2491619
2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 82986743
4-chloro-2-methoxy-6-[[(1-methylpiperidin-3-yl)amino]methyl]phenol
CID 104646165

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol?
The IUPAC name of 2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol (CID 104666523) is 2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol.
What is the SMILES notation for 2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol?
The canonical SMILES for 2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol is COc1cc(Cl)cc(CN2CCC(CCN)CC2)c1O.
What is the InChIKey of 2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol?
The InChIKey is XPMZVCWFABPADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-20-14-9-13(16)8-12(15(14)19)10-18-6-3-11(2-5-17)4-7-18/h8-9,11,19H,2-7,10,17H2,1H3.
What are the key properties of 2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol?
2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol has a molecular weight of 298.81 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol is sourced from PubChem (CID 104666523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).