2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol

C15H22Cl2N2O — CID 80551519

IUPAC2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
SMILESCCNCC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C15H22Cl2N2O/c1-2-18-9-11-3-5-19(6-4-11)10-12-7-13(16)8-14(17)15(12)20/h7-8,11,18,20H,2-6,9-10H2,1H3
InChIKeyGIFOIEIYQNMPMK-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.52
Rot. Bonds5

About 2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol

2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol (PubChem CID 80551519) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
PubChem CID80551519
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
SMILESCCNCC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1
InChIInChI=1S/C15H22Cl2N2O/c1-2-18-9-11-3-5-19(6-4-11)10-12-7-13(16)8-14(17)15(12)20/h7-8,11,18,20H,2-6,9-10H2,1H3
InChIKeyGIFOIEIYQNMPMK-UHFFFAOYSA-N
XLogP3.52
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-6-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 63263503
2-[(4-aminopiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 29009288
N-[[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80551575
2-[(4-tert-butylpiperidin-1-yl)methyl]-4,6-dichlorophenol
CID 82986743
N-[[1-[(2-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 81490395
N-[[1-[(4-bromo-2-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 115741530
N-[[1-[(2-chloro-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 120966398
2-[1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidin-4-yl]-2-methoxyacetic acid
CID 167819970
2-chloro-4-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol
CID 80550899
2-(azocan-1-ylmethyl)-4,6-dichlorophenol
CID 82977984
N-[[1-[(5-chloro-2-nitrophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79555368
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 65318072

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol (CID 80551519) is 2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol is CCNCC1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1.
What is the InChIKey of 2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is GIFOIEIYQNMPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-2-18-9-11-3-5-19(6-4-11)10-12-7-13(16)8-14(17)15(12)20/h7-8,11,18,20H,2-6,9-10H2,1H3.
What are the key properties of 2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol?
2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 317.26 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[4-(ethylaminomethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 80551519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).