4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol

C15H22ClNO — CID 82974788

IUPAC4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol
SMILESCC1CCCC(C)N1C(C)c1cc(Cl)ccc1O
InChIInChI=1S/C15H22ClNO/c1-10-5-4-6-11(2)17(10)12(3)14-9-13(16)7-8-15(14)18/h7-12,18H,4-6H2,1-3H3
InChIKeyRRRWZWMMAAYBPK-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.37
Rot. Bonds2

About 4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol

4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol (PubChem CID 82974788) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol
PubChem CID82974788
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol
SMILESCC1CCCC(C)N1C(C)c1cc(Cl)ccc1O
InChIInChI=1S/C15H22ClNO/c1-10-5-4-6-11(2)17(10)12(3)14-9-13(16)7-8-15(14)18/h7-12,18H,4-6H2,1-3H3
InChIKeyRRRWZWMMAAYBPK-UHFFFAOYSA-N
XLogP4.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
CID 104969310
2-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]-4-chlorophenol
CID 82982851
4-chloro-2-(1-piperidin-1-ylethyl)phenol
CID 82977404
4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol
CID 82976879
4-chloro-2-[1-(2,6-dimethylmorpholin-4-yl)ethyl]phenol
CID 82974210
4-chloro-2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 82980127
2-[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)ethyl]-4-chlorophenol
CID 82982157
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-4-chlorophenol
CID 82980108
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
4-chloro-2-[1-(4-methyl-1,4-diazepan-1-yl)ethyl]phenol
CID 82975278
4-chloro-2-[1-(1,1-dioxo-1,4-thiazepan-4-yl)ethyl]phenol
CID 102972079
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol?
The IUPAC name of 4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol (CID 82974788) is 4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol.
What is the SMILES notation for 4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol?
The canonical SMILES for 4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol is CC1CCCC(C)N1C(C)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol?
The InChIKey is RRRWZWMMAAYBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10-5-4-6-11(2)17(10)12(3)14-9-13(16)7-8-15(14)18/h7-12,18H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol?
4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol has a molecular weight of 267.80 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(2,6-dimethylpiperidin-1-yl)ethyl]phenol is sourced from PubChem (CID 82974788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).