5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol

C12H17ClN2O2 — CID 117395379

IUPAC5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
SMILESCOc1cc(CN2CCNCC2)c(Cl)cc1O
InChIInChI=1S/C12H17ClN2O2/c1-17-12-6-9(10(13)7-11(12)16)8-15-4-2-14-3-5-15/h6-7,14,16H,2-5,8H2,1H3
InChIKeyAOHNPIFAVILRKM-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.46
Rot. Bonds3

About 5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol

5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol (PubChem CID 117395379) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
PubChem CID117395379
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol
SMILESCOc1cc(CN2CCNCC2)c(Cl)cc1O
InChIInChI=1S/C12H17ClN2O2/c1-17-12-6-9(10(13)7-11(12)16)8-15-4-2-14-3-5-15/h6-7,14,16H,2-5,8H2,1H3
InChIKeyAOHNPIFAVILRKM-UHFFFAOYSA-N
XLogP1.46
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-4-(2-piperazin-1-ylethyl)phenol
CID 117430088
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256
methyl 4-[(2-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 126840899
5-chloro-4-methoxy-2-(2-piperazin-1-ylethyl)phenol
CID 117430083
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
CID 117495710
1-[(2,4,5-trimethoxyphenyl)methyl]piperazine;hydrochloride
CID 46736385
1-[(2-chloro-4-methoxyphenyl)methyl]piperazine
CID 5037695
1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]piperazine
CID 117454038
5-chloro-2-methoxy-4-[[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]phenol
CID 28736729
1-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,4-diazepane
CID 82305364
5-chloro-4-(chloromethyl)-2-methoxyphenol
CID 131191143
6-chloro-5-methoxy-3-(piperazin-1-ylmethyl)-1H-indole
CID 98035174

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol?
The IUPAC name of 5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol (CID 117395379) is 5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol.
What is the SMILES notation for 5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol?
The canonical SMILES for 5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol is COc1cc(CN2CCNCC2)c(Cl)cc1O.
What is the InChIKey of 5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol?
The InChIKey is AOHNPIFAVILRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-17-12-6-9(10(13)7-11(12)16)8-15-4-2-14-3-5-15/h6-7,14,16H,2-5,8H2,1H3.
What are the key properties of 5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol?
5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol has a molecular weight of 256.73 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(piperazin-1-ylmethyl)phenol is sourced from PubChem (CID 117395379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).