1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride

C19H32Cl2N2O — CID 2992990

IUPAC1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride
SMILESCc1cc(OCCCCN2CCN(C)CC2)c(C(C)C)cc1Cl.Cl
InChIInChI=1S/C19H31ClN2O.ClH/c1-15(2)17-14-18(20)16(3)13-19(17)23-12-6-5-7-22-10-8-21(4)9-11-22;/h13-15H,5-12H2,1-4H3;1H
InChIKeyJQSHLEVSQMNQJK-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.60
Rot. Bonds7

About 1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride

1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride (PubChem CID 2992990) has the molecular formula C19H32Cl2N2O and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride
PubChem CID2992990
Molecular FormulaC19H32Cl2N2O
Molecular Weight375.38 g/mol
Exact Mass374.19
IUPAC Name1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride
SMILESCc1cc(OCCCCN2CCN(C)CC2)c(C(C)C)cc1Cl.Cl
InChIInChI=1S/C19H31ClN2O.ClH/c1-15(2)17-14-18(20)16(3)13-19(17)23-12-6-5-7-22-10-8-21(4)9-11-22;/h13-15H,5-12H2,1-4H3;1H
InChIKeyJQSHLEVSQMNQJK-UHFFFAOYSA-N
XLogP4.60
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-bromo-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride
CID 2996696
1-(3-bromopropoxy)-4-chloro-5-methyl-2-propan-2-ylbenzene
CID 154267384
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
CID 62584526
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperazine
CID 2299895
2-[4-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55376327
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine
CID 2994821
2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]guanidine
CID 158736954
1-[4-(2-tert-butyl-4-chlorophenoxy)butyl]-4-methylpiperazine
CID 2299696
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 9226378
4,4-difluoro-1-[4-(3-propan-2-ylnaphthalen-2-yl)oxybutyl]piperidine
CID 146440633

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride (CID 2992990) is 1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride is Cc1cc(OCCCCN2CCN(C)CC2)c(C(C)C)cc1Cl.Cl.
What is the InChIKey of 1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride?
The InChIKey is JQSHLEVSQMNQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN2O.ClH/c1-15(2)17-14-18(20)16(3)13-19(17)23-12-6-5-7-22-10-8-21(4)9-11-22;/h13-15H,5-12H2,1-4H3;1H.
What are the key properties of 1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride?
1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride has a molecular weight of 375.38 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-5-methyl-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 2992990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).