2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol

C17H24Cl2N2O — CID 171284821

IUPAC2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H24Cl2N2O/c18-13-10-14(17(22)15(19)11-13)16(12-4-2-1-3-5-12)21-8-6-20-7-9-21/h10-12,16,20,22H,1-9H2/t16-/m1/s1
InChIKeyROWVVNLBCAVTKA-MRXNPFEDSA-N
MW343.30 g/mol
LogP4.23
Rot. Bonds3

About 2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol

2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol (PubChem CID 171284821) has the molecular formula C17H24Cl2N2O and a molecular weight of 343.30 g/mol. Its IUPAC name is 2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol
PubChem CID171284821
Molecular FormulaC17H24Cl2N2O
Molecular Weight343.30 g/mol
Exact Mass342.13
IUPAC Name2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1[C@@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C17H24Cl2N2O/c18-13-10-14(17(22)15(19)11-13)16(12-4-2-1-3-5-12)21-8-6-20-7-9-21/h10-12,16,20,22H,1-9H2/t16-/m1/s1
InChIKeyROWVVNLBCAVTKA-MRXNPFEDSA-N
XLogP4.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.30
LogP ≤ 54.23
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

4-bromo-2-chloro-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171300211
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117
1-[(R)-cyclohexyl-(2,5-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171288565
2,3-dichloro-6-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171298455
2,3-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol
CID 171300934
4-chloro-2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-6-methylphenol;dihydrochloride
CID 171283334
1-[(S)-(5-chloro-2-fluorophenyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171275461
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4,6-diiodophenol;dihydrochloride
CID 171296536
2-chloro-6-[(S)-cyclopentyl(piperazin-1-yl)methyl]-3-fluorophenol
CID 171297813
3,5-dichloro-2-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenol
CID 171296427
4-bromo-2-chloro-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171297739
1-[(S)-(2-chloro-5-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171164473

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol (CID 171284821) is 2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol is Oc1c(Cl)cc(Cl)cc1[C@@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol?
The InChIKey is ROWVVNLBCAVTKA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24Cl2N2O/c18-13-10-14(17(22)15(19)11-13)16(12-4-2-1-3-5-12)21-8-6-20-7-9-21/h10-12,16,20,22H,1-9H2/t16-/m1/s1.
What are the key properties of 2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol?
2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol has a molecular weight of 343.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(R)-cyclohexyl(piperazin-1-yl)methyl]phenol is sourced from PubChem (CID 171284821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).