1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride

C15H31Cl2FN2 — CID 126845725

IUPAC1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
SMILESCC(C)(C)C1CCC(F)(CN2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C15H29FN2.2ClH/c1-14(2,3)13-4-6-15(16,7-5-13)12-18-10-8-17-9-11-18;;/h13,17H,4-12H2,1-3H3;2*1H
InChIKeyDLCGJZGTGLQEQL-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.68
Rot. Bonds2

About 1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride

1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride (PubChem CID 126845725) has the molecular formula C15H31Cl2FN2 and a molecular weight of 329.33 g/mol. Its IUPAC name is 1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
PubChem CID126845725
Molecular FormulaC15H31Cl2FN2
Molecular Weight329.33 g/mol
Exact Mass328.18
IUPAC Name1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
SMILESCC(C)(C)C1CCC(F)(CN2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C15H29FN2.2ClH/c1-14(2,3)13-4-6-15(16,7-5-13)12-18-10-8-17-9-11-18;;/h13,17H,4-12H2,1-3H3;2*1H
InChIKeyDLCGJZGTGLQEQL-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-fluorocyclohexyl)methyl]piperazine;dihydrochloride
CID 126845662
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4-tert-butyl-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
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1-[(4-fluoropiperidin-4-yl)methyl]piperidin-4-ol
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1-(2-cyclobutyl-2-methylpropyl)piperazine
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4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine
CID 65094562
4-tert-butyl-1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclohexan-1-ol
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1-(4-tert-butylpiperidin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
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1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride (CID 126845725) is 1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride is CC(C)(C)C1CCC(F)(CN2CCNCC2)CC1.Cl.Cl.
What is the InChIKey of 1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride?
The InChIKey is DLCGJZGTGLQEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2.2ClH/c1-14(2,3)13-4-6-15(16,7-5-13)12-18-10-8-17-9-11-18;;/h13,17H,4-12H2,1-3H3;2*1H.
What are the key properties of 1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride?
1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride has a molecular weight of 329.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butyl-1-fluorocyclohexyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 126845725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).